SCHEMBL8985334

SCHEMBL8985334

Nc1ccc(-c2cc(C(F)(F)F)sc2-c2ccc(F)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.50
PTGS1 P23219 4/20 0.50
MAPK14 Q16539 9/20 0.43
KDM4E B2RXH2 1/20 0.40
MT-CO1 P00395 1/20 0.40
MT-CO2 P00403 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KIF11 P52732 2/20 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
SCHEMBL11080131 0.81 PTGS2 (0.52) PTGS2PTGS1MAPK14KDM4EMT-CO1
SCHEMBL8985420 0.79 PTGS2 (0.50) PTGS2PTGS1MAPK14KDM4EMT-CO1
SCHEMBL8985270 0.79 PTGS2 (0.69) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL11189076 0.76 PTGS2 (0.54) PTGS2PTGS1MAPK14KDM4EMT-CO1
SCHEMBL8985348 0.76 PTGS2 (0.51) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL11182987 0.74 PTGS2 (0.52) PTGS2PTGS1MAPK14KDM4EMT-CO1
SCHEMBL11183966 0.74 PTGS2 (0.59) PTGS2PTGS1MAPK14KDM4EMT-CO1
SCHEMBL11220738 0.74 PTGS2 (0.52) PTGS2PTGS1MAPK14KDM4EMT-CO1
SCHEMBL8985292 0.73 MAPK14 (0.57) PTGS2PTGS1MAPK14CYP1A2CYP3A4
SCHEMBL11083115 0.73 PTGS2 (0.48) PTGS2PTGS1MAPK14KDM4EMT-CO1

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-5571810-A ANTIINFLAMMATORY AGENTS, ANALGESICS, COLLAGEN DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-11-05 US disclosed
EP-0593761-A1 NEW THIOPHENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-04-27 EP disclosed
WO-1991019708-A1 NEW THIOPHENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-12-26 WO disclosed