SCHEMBL7876663

SCHEMBL7876663

Cc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(S(C)(=O)=O)cc2)cc1F

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.74
PTGS1 P23219 4/20 0.74
CYP2C9 P11712 2/20 0.74
PDPK1 O15530 2/20 0.60
PTGES O14684 1/20 0.60
HDAC3 O15379 1/20 0.60
CA12 O43570 1/20 0.60
PDE5A O76074 1/20 0.60
ABCB11 O95342 1/20 0.60
MT-CO2 P00403 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
LMNA P02545 1/20 0.60
CA3 P07451 1/20 0.60
CYP3A4 P08684 1/20 0.60
ALOX5 P09917 1/20 0.60
ADORA3 P0DMS8 1/20 0.60
CYP2D6 P10635 1/20 0.60
ADRB3 P13945 1/20 0.60
ALOX15 P16050 1/20 0.60

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
SCHEMBL7876247 0.91 PTGS2 (0.74) PTGS2PTGS1CYP2C9PDPK1PTGES
SCHEMBL6718631 0.88 PTGS2 (0.59) PTGS2PTGS1CYP2C9PDPK1PTGES
SCHEMBL6719255 0.88 PTGS2 (0.59) PTGS2PTGS1CYP2C9PDPK1PTGES
SCHEMBL6736014 0.87 PTGS2 (0.57) PTGS2PTGS1CYP2C9PDPK1PTGES
SCHEMBL7874458 0.87 PTGS2 (0.73) PTGS2PTGS1CYP2C9PDPK1PTGES
SCHEMBL7876231 0.87 PTGS2 (0.73) PTGS2PTGS1CYP2C9PDPK1PTGES
SCHEMBL4587724 0.87 PTGS2 (0.64) PTGS2PTGS1CYP2C9PDPK1PTGES
SCHEMBL5229949 0.85 PTGS2 (1.00) PTGS2PTGS1CYP2C9PDPK1PTGES
SCHEMBL8953888 0.85 PTGS2 (1.00) PTGS2PTGS1CYP2C9PDPK1PTGES
Sc-58125 SCHEMBL12375146 0.85 PTGS2 (1.00) PTGS2PTGS1CYP2C9PDPK1PTGES

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
US-6316485-B1 INHIBITS ACTIVITY OF CYCLOOXYGENASE-2; FOR THERAPY AND PROPHYLAXIS OF INFLAMMATION, THROMBOSIS, RHEUMATOID ARTHRITIS, ALZHEIMER'S DISEASE; AS ANALGESIC FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-13 US disclosed
EP-1017678-A1 1,5-DIPHENYLPYRAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-12 EP disclosed
WO-1999015505-A1 1,5-DIPHENYLPYRAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-04-01 WO disclosed