SCHEMBL5493675

SCHEMBL5493675

CCC#CCn1nc(-c2ccc(Cl)cc2)ccc1=O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPT P10636 1/20 0.50
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
POLB P06746 3/20 0.47
HSD17B10 Q99714 2/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
GLA P06280 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TP53 P04637 1/20 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
SCHEMBL5493053 0.86 TSHR (0.50) TSHRMEN1KMT2AMAPTKDM4E
SCHEMBL5497539 0.85 MEN1 (0.54) TSHRMEN1KMT2AMAPTKDM4E
SCHEMBL8442721 0.84 TSHR (0.48) TSHRMEN1KMT2AMAPTKDM4E
SCHEMBL3411349 0.84 TSHR (0.40) TSHRMEN1KMT2AMAPTKDM4E
SCHEMBL8300688 0.82 MAPT (0.45) TSHRMEN1KMT2AMAPTKDM4E
SCHEMBL8305027 0.81 TSHR (0.48) TSHRMEN1KMT2AMAPTKDM4E
SCHEMBL5498911 0.79 PDE4A (0.43) TSHRMEN1KMT2AMAPTKDM4E
SCHEMBL13649484 0.78 TSHR (0.35) TSHRMEN1KMT2AMAPTKDM4E
SCHEMBL4219055 0.78 NR1H3 (0.39) TSHRMEN1KMT2AMAPTKDM4E
SCHEMBL13649482 0.77 MEN1 (0.35) TSHRMEN1KMT2AMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1553831-A4 PROCESS FOR SCREENING FUNGITOXIC COMPOUNDS DOW AGROSCIENCES LLC (US) 2007-11-07 EP claimed
EP-1553831-A2 PROCESS FOR SCREENING FUNGITOXIC COMPOUNDS Dow Agrosciences LLC (US) 2005-07-20 EP claimed
US-20050095663-A1 Process for screening fungitoxic compounds YOUNG DAVID H (US) 2005-05-05 US claimed
WO-2003106385-A2 PROCESS FOR SCREENING FUNGITOXIC COMPOUNDS DOW AGROSCIENCES LLC (US) 2003-12-24 WO claimed
EP-0760208-B1 Compositions having synergistic fungitoxic effects ROHM & HAAS (US) 2001-05-30 EP claimed
EP-0478195-B1 Dihydropyridazinones and pyridazinones as fungicides ROHM & HAAS (US) 1999-05-26 EP claimed
US-5855654-A APPLYING (DIHYDRO)PYRIDAZINONE COMPOUND ROHM AND HAAS COMPANY (US) 1999-01-05 US claimed
EP-0856255-A2 Pyridazinones as marine antifouling agents ROHM AND HAAS COMPANY (US) 1998-08-05 EP claimed
CN-1189293-A Pyridazinones as marine antifouling agents ROHM & HAAS (US) 1998-08-05 CN claimed
US-5741793-A PYRIDAZINONE AS FUNGICIDES ROHM AND HAAS COMPANY (US) 1998-04-21 US claimed
EP-0760208-A2 Compositions having synergistic fungitoxic effects ROHM AND HAAS COMPANY (US) 1997-03-05 EP claimed
EP-0478195-A1 Dihydropyridazinones, pyridazinones and related compounds as fungicides ROHM AND HAAS COMPANY (US) 1992-04-01 EP claimed
EP-1553831-A4 PROCESS FOR SCREENING FUNGITOXIC COMPOUNDS DOW AGROSCIENCES LLC (US) 2007-11-07 EP disclosed
EP-1553831-A2 PROCESS FOR SCREENING FUNGITOXIC COMPOUNDS Dow Agrosciences LLC (US) 2005-07-20 EP disclosed
US-20050095663-A1 Process for screening fungitoxic compounds YOUNG DAVID H (US) 2005-05-05 US disclosed
WO-2003106385-A2 PROCESS FOR SCREENING FUNGITOXIC COMPOUNDS DOW AGROSCIENCES LLC (US) 2003-12-24 WO disclosed
US-5631254-A RICE; HUMAN INFECTIONS ROHM AND HAAS COMPANY (US) 1997-05-20 US disclosed
EP-0760208-A2 Compositions having synergistic fungitoxic effects ROHM AND HAAS COMPANY (US) 1997-03-05 EP disclosed
US-5552409-A PHYTOPATHOGENIC, RICE ROHM AND HAAS COMPANY (US) 1996-09-03 US disclosed
EP-0478195-A1 Dihydropyridazinones, pyridazinones and related compounds as fungicides ROHM AND HAAS COMPANY (US) 1992-04-01 EP disclosed