SCHEMBL4928069

SCHEMBL4928069

C(=Nc1ccccn1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.48
MAOB P27338 1/20 0.48
KDM4E B2RXH2 6/20 0.47
MAPT P10636 4/20 0.47
RAB9A P51151 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 2/20 0.47
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
MCL1 Q07820 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NLRP3 Q96P20 1/20 0.47
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 4/20 0.44
ADRA2A P08913 2/20 0.44
ADRA2B P18089 2/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10972894 1.00 MAOA (0.48) MAOAMAOBKDM4EMAPTRAB9A
SCHEMBL14128964 0.88 KDM4E (0.45) MAOAMAOBKDM4EMAPTRAB9A
SCHEMBL7262459 0.85 RAB9A (0.55) MAOAMAOBKDM4EMAPTRAB9A
SCHEMBL7262462 0.85 RAB9A (0.55) MAOAMAOBKDM4EMAPTRAB9A
SCHEMBL28089833 0.85 KDM4E (0.55) KDM4EMAPTRAB9AMEN1KMT2A
SCHEMBL14128965 0.82 ALDH1A1 (0.49) MAOAMAOBKDM4EMAPTRAB9A
SCHEMBL12477103 0.81 KDM4E (0.43) MAOAMAOBKDM4EMAPTRAB9A
SCHEMBL12477101 0.81 KDM4E (0.43) MAOAMAOBKDM4EMAPTRAB9A
SCHEMBL14129022 0.80 KDM4E (0.42) MAOAMAOBKDM4EMAPTRAB9A
SCHEMBL11621121 0.79 NR4A1 (0.68) MAOAMAOBKDM4EMAPTRAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107887616-A A kind of oxidation reduction catalyst of novel transition metal modification and preparation method thereof 中国石油大学(华东) 2018-04-06 CN claimed
US-20080021185-A1 initiator systems; block polymers of vinyl acetate, vinyl alcohol, or polyvinyl butyral; use as water-soluble films, biodegradable and water-soluble polymers, detergents, in adhesives and as emulsifier; e.g. star polyethylene glycol modified with polyvinyl alcohol groups through a phenylene spacer CELANESE VENTURES GMBH (DE) 2008-01-24 US claimed
EP-1651692-A1 NOVEL POLYVINYL ESTER AND NOVEL POLYVINYLALCOHOL COPOLYMERS Celanese Ventures GmbH (DE) 2006-05-03 EP claimed
EP-1539842-A1 NOVEL POLYVINYL ESTERS Celanese Ventures GmbH (DE) 2005-06-15 EP claimed
WO-2005012377-A1 NOVEL POLYVINYL ESTER AND NOVEL POLYVINYLALCOHOL COPOLYMERS CELANESE VENTURES GMBH (DE) 2005-02-10 WO claimed
WO-2004018532-A1 NOVEL POLYVINYL ESTERS CELANESE VENTURES GMBH (DE) 2004-03-04 WO claimed
EP-0015628-B1 USE AS FUNGICIDES OF PYRIDYLIMINOMETHYLBENZENE DERIVATIVES AND ACID-ADDITION SALTS THEREOF; PYRIDYLIMINOMETHYLBENZENE DERIVATIVES AND THEIR ACID-ADDITION SALTS; A PROCESS FOR PREPARING SUCH COMPOUNDS AND INTERMEDIATES FOR USE IN SUCH PROCESS; AND FUNGICIDAL COMPOSITIONS COMPRISING SUCH COMPOUNDS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1985-01-30 EP claimed
EP-0015628-A1 Use as fungicides of pyridyliminomethylbenzene derivatives and acid-addition salts thereof; pyridyliminomethylbenzene derivatives and their acid-addition salts; a process for preparing such compounds and intermediates for use in such process; and fungicidal compositions comprising such compounds SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1980-09-17 EP claimed
CN-107887616-A A kind of oxidation reduction catalyst of novel transition metal modification and preparation method thereof 中国石油大学(华东) 2018-04-06 CN disclosed
US-20080021185-A1 initiator systems; block polymers of vinyl acetate, vinyl alcohol, or polyvinyl butyral; use as water-soluble films, biodegradable and water-soluble polymers, detergents, in adhesives and as emulsifier; e.g. star polyethylene glycol modified with polyvinyl alcohol groups through a phenylene spacer CELANESE VENTURES GMBH (DE) 2008-01-24 US disclosed
EP-1651692-A1 NOVEL POLYVINYL ESTER AND NOVEL POLYVINYLALCOHOL COPOLYMERS Celanese Ventures GmbH (DE) 2006-05-03 EP disclosed
EP-1539842-A1 NOVEL POLYVINYL ESTERS Celanese Ventures GmbH (DE) 2005-06-15 EP disclosed
WO-2005012377-A1 NOVEL POLYVINYL ESTER AND NOVEL POLYVINYLALCOHOL COPOLYMERS CELANESE VENTURES GMBH (DE) 2005-02-10 WO disclosed
WO-2004018532-A1 NOVEL POLYVINYL ESTERS CELANESE VENTURES GMBH (DE) 2004-03-04 WO disclosed
US-4355035-A FUNGICIDES SHELL OIL COMPANY (US) 1982-10-19 US disclosed
US-4355035-A FUNGICIDES SHELL OIL COMPANY (US) 1982-10-19 US disclosed
EP-0015628-A1 Use as fungicides of pyridyliminomethylbenzene derivatives and acid-addition salts thereof; pyridyliminomethylbenzene derivatives and their acid-addition salts; a process for preparing such compounds and intermediates for use in such process; and fungicidal compositions comprising such compounds SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1980-09-17 EP disclosed
EP-0015628-A1 Use as fungicides of pyridyliminomethylbenzene derivatives and acid-addition salts thereof; pyridyliminomethylbenzene derivatives and their acid-addition salts; a process for preparing such compounds and intermediates for use in such process; and fungicidal compositions comprising such compounds SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1980-09-17 EP disclosed
EP-0015628-A1 Use as fungicides of pyridyliminomethylbenzene derivatives and acid-addition salts thereof; pyridyliminomethylbenzene derivatives and their acid-addition salts; a process for preparing such compounds and intermediates for use in such process; and fungicidal compositions comprising such compounds SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1980-09-17 EP disclosed
US-4180670-A Amino pyridine derivatives JOHN WYETH & BROTHER LIMITED (GB) 1979-12-25 US disclosed