SCHEMBL7989339

SCHEMBL7989339

O=C(O)c1nc(-c2cccc3ccccc23)[nH]c1-c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.46
MAPK13 O15264 4/20 0.46
MAPK12 P53778 4/20 0.46
MAPK11 Q15759 4/20 0.46
GCGR P47871 3/20 0.46
DHODH Q02127 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C8 P10632 1/20 0.46
CYP2C9 P11712 1/20 0.46
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
TNKS O95271 2/20 0.42
TNKS2 Q9H2K2 2/20 0.42
GUSB P08236 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
PIN1 Q13526 3/20 0.41
MCL1 Q07820 1/20 0.41
ACMSD Q8TDX5 1/20 0.41
SERPINE1 P05121 2/20 0.41
RAF1 P04049 1/20 0.40

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
SCHEMBL7991800 0.91 KDM4E (0.51) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL7991880 0.88 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL7991805 0.88 KDM4E (0.48) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL7995032 0.86 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL7989059 0.84 MAPT (0.51) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL7977712 0.84 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL7989916 0.83 IDO1 (0.50) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL7977974 0.83 ALOX5 (0.49) GCGRKDM4ECYP1A2MAPK1CYP2C19
SCHEMBL7989665 0.80 GPR84 (0.43) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL7994926 0.78 RAB9A (0.45) KDM4EPOLBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US disclosed