SCHEMBL6616124

SCHEMBL6616124

COc1ccc(-n2cnc(C(F)(F)F)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.44
PTGS1 P23219 6/20 0.44
CYP1A2 P05177 3/20 0.43
CYP2C9 P11712 3/20 0.43
HTT P42858 3/20 0.40
CYP2C19 P33261 2/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
THPO P40225 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
HIF1A Q16665 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
P2RX7 Q99572 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL6615968 0.79 PTGS2 (0.57) PTGS2PTGS1CYP1A2CYP2C9HTT
SCHEMBL3753336 0.78 MKNK1 (0.36) PTGS2PTGS1HTTMAPT
SCHEMBL10415458 0.78 SMN1; SMN2 (0.44) PTGS1TSHRNPSR1SMN1; SMN2HPGD
SCHEMBL31406162 0.77 PTGS2 (0.39) PTGS2PTGS1SMN1; SMN2HPGDL3MBTL1
SCHEMBL16202001 0.76 CYP1A2 (0.48) PTGS2PTGS1CYP1A2CYP2C9HTT
SCHEMBL6615348 0.76 CYP1A2 (0.48) PTGS2PTGS1CYP1A2CYP2C9HTT
SCHEMBL6132524 0.75 CYP1A2 (0.47) PTGS2CYP1A2CYP2C9HTTADORA3
SCHEMBL22897465 0.75 CYP1A2 (0.47) PTGS2PTGS1CYP1A2CYP2C9HTT
SCHEMBL22173634 0.74 CHRNA7 (0.46) PTGS2PTGS1ADORA3MAPT
SCHEMBL6616454 0.73 P2RX7 (0.43) PTGS2PTGS1CYP1A2CYP2C9HTT

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-1442026-A1 TRIAZOLE DERIVATIVES AS CYCLOOXYGENASE (COX) INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-04 EP claimed
WO-2003040110-A1 TRIAZOLE DERIVATIVES AS CYCLOOXYGENASE (COX) INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-05-15 WO claimed
CN-119569663-A Preparation method of 1- (3-bromo-4-methoxyphenyl) -3- (trifluoromethyl) -1,2, 4-triazole 无锡捷化医药科技有限公司 2025-03-07 CN disclosed
WO-2004060367-A1 IMIDAZOLE AND TRIAZOLE DERIVATIVES USEFUL AS SELECTIVE COX-1 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-07-22 WO disclosed