SCHEMBL8985223

SCHEMBL8985223

CN(C)Cc1cc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)s1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.50
MAPK14 Q16539 7/20 0.50
PTGS1 P23219 4/20 0.43
KDM4E B2RXH2 1/20 0.43
MT-CO1 P00395 1/20 0.43
MT-CO2 P00403 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
EP300 Q09472 1/20 0.43

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
SCHEMBL8985280 0.93 PTGS2 (0.45) PTGS2MAPK14PTGS1KDM4EMT-CO1
SCHEMBL8985538 0.90 PTGS1 (0.51) PTGS2MAPK14PTGS1KDM4EMT-CO1
Hydrochloric Acid SCHEMBL8985440 0.89 PTGS1 (0.50) PTGS2MAPK14PTGS1KDM4EMT-CO1
Hydrochloric Acid SCHEMBL8985503 0.89 EP300 (0.44) PTGS2MAPK14PTGS1EP300
SCHEMBL8985433 0.88 PTGS2 (0.42) PTGS2MAPK14PTGS1KDM4EMT-CO1
Hydrochloric Acid SCHEMBL8985309 0.87 PTGS2 (0.67) PTGS2PTGS1KDM4EMT-CO1MT-CO2
Hydrochloric Acid SCHEMBL8985517 0.87 PTGS2 (0.44) PTGS2MAPK14PTGS1KDM4EMT-CO1
Hydrochloric Acid SCHEMBL8985525 0.86 PTGS2 (0.54) PTGS2MAPK14PTGS1KDM4EMT-CO1
SCHEMBL8985500 0.85 PTGS2 (0.50) PTGS2MAPK14PTGS1KDM4EMT-CO1
SCHEMBL8985341 0.81 EP300 (0.41) PTGS2MAPK14PTGS1EP300

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