SCHEMBL8985271

SCHEMBL8985271

CS(=O)(=O)c1ccc(-c2cc(C(=O)Nc3ccccc3)sc2-c2ccc(F)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.57
ESR1 P03372 1/20 0.56
ESRRG P62508 1/20 0.56
PTGS1 P23219 3/20 0.56
KDM4E B2RXH2 2/20 0.56
MT-CO1 P00395 1/20 0.56
MT-CO2 P00403 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
HPGD P15428 1/20 0.56
TSHR P16473 1/20 0.56
CYP2C19 P33261 1/20 0.56
HSD17B10 Q99714 1/20 0.56
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL8985386 0.85 PTGS2 (0.63) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985490 0.84 PTGS2 (0.67) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985244 0.82 PTGS2 (0.62) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985283 0.82 PTGS2 (0.59) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985321 0.81 MAPK14 (0.68) PTGS2PTGS1KDM4EMT-CO1MT-CO2
Dimethylamine SCHEMBL8985249 0.80 PTGS2 (0.57) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985461 0.80 PTGS2 (0.68) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985302 0.80 PTGS2 (0.66) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985227 0.80 PTGS2 (0.51) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985424 0.80 PTGS2 (0.56) PTGS2PTGS1KDM4EMT-CO1MT-CO2

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