SCHEMBL8413441

SCHEMBL8413441

CCc1nccc(NC(=O)Cc2ccc(Oc3ccc(C#N)cc3)cc2)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 1/20 0.44
CACNA1H O95180 7/20 0.43
RORC P51449 2/20 0.43
CHEK1 O14757 1/20 0.41
S1PR1 P21453 2/20 0.40
S1PR3 Q99500 2/20 0.40
KMT2A Q03164 3/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
IL18 Q14116 1/20 0.40
GAA P10253 1/20 0.40
ROCK2 O75116 1/20 0.40
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39

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
SCHEMBL8329943 0.88 NOD2 (0.48) NOD2RORCKMT2ARAB9AMEN1
SCHEMBL8667377 0.84 CACNA1H (0.41) CACNA1HRORCS1PR1S1PR3KMT2A
SCHEMBL8330868 0.84 EPHX2 (0.46) NOD2RORCLMNAMAPTMAPK8
SCHEMBL8412094 0.80 NOD2 (0.44) NOD2KMT2ARAB9AMEN1LMNA
SCHEMBL8331056 0.78 NLRP3 (0.45) NOD2CACNA1HKMT2ARAB9AMEN1
SCHEMBL27550688 0.78 NOD2 (0.49) NOD2KMT2ARAB9AMEN1MAPK8
SCHEMBL8987819 0.77 MAPK10 (0.45) CACNA1HRORCKMT2ARAB9AMEN1
SCHEMBL8410599 0.77 LMNA (0.48) NOD2RAB9ALMNA
SCHEMBL9231797 0.77 MAPT (0.45) NOD2RORCMAPTROCK2L3MBTL1
SCHEMBL8412024 0.76 L3MBTL1 (0.47) NOD2KMT2ARAB9AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0822930-B1 PYRIDINE DERIVATIVE AND PESTICIDE KUMIAI CHEMICAL INDUSTRY CO (JP) 1999-07-28 EP disclosed
US-5763463-A Pyridine compounds which are useful as pesticides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1998-06-09 US disclosed
EP-0822930-A1 PYRIDINE DERIVATIVE AND PESTICIDE KumaiI Chemical Industry Co., Ltd. (JP) 1998-02-11 EP disclosed
WO-1996033975-A1 PYRIDINE DERIVATIVE AND PESTICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1996-10-31 WO disclosed