SCHEMBL8985502

SCHEMBL8985502

CN(C)C(=O)c1cc(-c2ccc(NS(C)(=O)=O)cc2)c(-c2ccc(F)cc2)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.51
PTGS1 P23219 4/20 0.51
MAPK14 Q16539 5/20 0.48
NR3C2 P08235 1/20 0.45
HPGD P15428 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
TSHR P16473 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MT-CO1 P00395 1/20 0.44
MT-CO2 P00403 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
KIF11 P52732 1/20 0.40
OPRD1 P41143 1/20 0.40

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
SCHEMBL8985442 0.87 MAPK14 (0.64) PTGS2PTGS1MAPK14NR3C2HPGD
SCHEMBL8985467 0.87 MAPK14 (0.60) PTGS2PTGS1MAPK14HPGDCYP1A2
SCHEMBL8985287 0.86 PTGS2 (0.56) PTGS2PTGS1MAPK14HPGDCYP1A2
SCHEMBL8985285 0.85 PTGS2 (0.52) PTGS2PTGS1MAPK14HPGDCYP1A2
SCHEMBL8985457 0.85 PTGS2 (0.63) PTGS2PTGS1MAPK14HPGDCYP1A2
SCHEMBL8985290 0.85 PTGS2 (0.63) PTGS2PTGS1MAPK14HPGDCYP1A2
SCHEMBL8985225 0.82 MAPK14 (0.55) PTGS2PTGS1MAPK14HPGDCYP1A2
SCHEMBL8985301 0.81 PTGS2 (0.55) PTGS2PTGS1MAPK14HPGDCYP1A2
SCHEMBL8985323 0.79 MAPK14 (0.52) PTGS2PTGS1MAPK14HPGDCYP1A2
SCHEMBL8985495 0.79 MAPK14 (0.52) PTGS2PTGS1MAPK14HPGDCYP1A2

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
EP-0593761-A1 NEW THIOPHENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-04-27 EP disclosed