SCHEMBL8985337

SCHEMBL8985337

CNC(=O)c1cc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(S(C)(=O)=O)cc2)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.52
PTGS1 P23219 3/20 0.51
KDM4E B2RXH2 3/20 0.51
HPGD P15428 2/20 0.51
HSD17B10 Q99714 2/20 0.51
MT-CO1 P00395 1/20 0.51
MT-CO2 P00403 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAPT P10636 2/20 0.49
HTT P42858 1/20 0.49
IKBKB O14920 1/20 0.47
OPRD1 P41143 1/20 0.47
PLK1 P53350 1/20 0.45
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 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
SCHEMBL8985386 0.94 PTGS2 (0.63) PTGS2PTGS1KDM4EHPGDHSD17B10
SCHEMBL8985220 0.94 PTGS2 (0.49) PTGS2PTGS1KDM4EHPGDHSD17B10
SCHEMBL8985361 0.92 OPRD1 (0.62) PTGS2PTGS1KDM4EHPGDHSD17B10
SCHEMBL8985371 0.81 PTGS2 (0.57) PTGS2PTGS1KDM4EHPGDHSD17B10
SCHEMBL8985191 0.81 MAPK14 (0.60) PTGS2PTGS1KDM4EHPGDHSD17B10
Dimethylamine SCHEMBL8985249 0.81 PTGS2 (0.57) PTGS2PTGS1KDM4EHPGDHSD17B10
SCHEMBL8985408 0.81 PTGS2 (0.52) PTGS2PTGS1KDM4EHPGDHSD17B10
SCHEMBL8985244 0.80 PTGS2 (0.62) PTGS2PTGS1KDM4EHPGDHSD17B10
SCHEMBL8985283 0.80 PTGS2 (0.59) PTGS2PTGS1KDM4EHPGDHSD17B10
SCHEMBL3246285 0.80 PTGS2 (0.51) PTGS2PTGS1KDM4EHPGDHSD17B10

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 2 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
WO-1991019708-A1 NEW THIOPHENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-12-26 WO disclosed