SCHEMBL7676830

SCHEMBL7676830

Cc1c(OCCCCSc2ncccn2)ccnc1CNc1cnc2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.44
MEN1 O00255 8/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 1/20 0.44
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
HTT P42858 5/20 0.42
MAPT P10636 5/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
KDM4E B2RXH2 3/20 0.42
LMNA P02545 3/20 0.42
GAA P10253 2/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42

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
SCHEMBL7676111 0.86 KDM4E (0.44) KMT2AMEN1NPC1RAB9AHTT
SCHEMBL7678998 0.85 MEN1 (0.43) KMT2AMEN1NPC1RAB9AHTT
Hydrochloric Acid SCHEMBL7670127 0.85 KDM4E (0.46) KMT2AMEN1CYP2C9NPC1RAB9A
Hydrochloric Acid SCHEMBL7672787 0.84 KDM4E (0.47) KMT2AMEN1CYP2C9NPC1RAB9A
Hydrochloric Acid SCHEMBL7674032 0.84 KDM4E (0.42) KMT2AMEN1NPC1RAB9AHTT
SCHEMBL7678522 0.84 FLT1 (0.41) KMT2AMEN1NPC1RAB9AHTT
Hydrochloric Acid SCHEMBL7672374 0.82 KDM4E (0.47) KMT2AMEN1NPC1RAB9AHTT
SCHEMBL7677465 0.81 HTT (0.41) KMT2AMEN1NPC1RAB9AHTT
SCHEMBL7671668 0.81 FLT1 (0.42) KMT2AMEN1NPC1RAB9AHTT
SCHEMBL7672308 0.80 FLT1 (0.42) KMT2AMEN1NPC1RAB9AHTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6479514-B1 FOR THE CONTROL OF HELICOBACTER BACTERIA IN INFECTED PATIENTS ALTANA PHARMA AG (DE) 2002-11-12 US disclosed
EP-1086094-A1 QUINOLINE-AMINOMETHYL-PYRIDYL DERIVATIVES WITH ANTI-HELICOBACTER ACTIVITY Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2001-03-28 EP disclosed
WO-1999061438-A1 QUINOLINE-AMINOMETHYL-PYRIDYL DERIVATIVES WITH ANTI-HELICOBACTER ACTIVITY BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1999-12-02 WO disclosed