SCHEMBL6973119

SCHEMBL6973119

Cc1csc(-n2nc(C(F)(F)F)cc2-c2nc3ccccc3s2)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 2/20 0.40
F2RL3 Q96RI0 3/20 0.39
NPSR1 Q6W5P4 1/20 0.38
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
PTGS1 P23219 2/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
ILK Q13418 1/20 0.37
PTGS2 P35354 1/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL6976235 0.87 APP (0.44) F2RL3MEN1KMT2AILKMAPT
SCHEMBL6978359 0.87 F2RL3 (0.39) F2RL3PTGS1ILKPTGS2MAPT
SCHEMBL6976148 0.84 ILK (0.38) F2RL3CASP3SENP8SENP7SENP6
SCHEMBL6973108 0.76 PTGS2 (0.51) P2RY6F2RL3NPSR1PTGS1PTGS2
SCHEMBL6978032 0.75 PTGS2 (0.64) PTGS1PTGS2
SCHEMBL6976876 0.73 PTGS2 (0.64) PTGS1PTGS2
SCHEMBL6982699 0.70 F2RL3 (0.43) F2RL3ILK
SCHEMBL8954500 0.70 PTGS2 (0.67) PTGS1PTGS2
SCHEMBL6973228 0.68 PTGS2 (0.64) PTGS1PTGS2
SCHEMBL4673772 0.68 RAB9A (0.37) NPSR1MAPT

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
EP-1006114-B1 PYRAZOLE DERIVATIVES AND COX INHIBITORS CONTAINING THEM GRELAN PHARMACEUTICAL CO (JP) 2003-01-22 EP disclosed
US-6136831-A ANTIINFLAMMATORY AGENTS, GASTROINTESTINAL AGENTS, ENZYME INHIBITORS GRELAN PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
EP-1006114-A1 PYRAZOLE DERIVATIVES AND COX INHIBITORS CONTAINING THEM Grelan Pharmaceutical Co., Ltd. (JP) 2000-06-07 EP disclosed