SCHEMBL8985451

SCHEMBL8985451

CN(C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc(F)cc2)s1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.50
PTGS2 P35354 9/20 0.48
PTGS1 P23219 4/20 0.47
HPGD P15428 2/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
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
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GCGR P47871 1/20 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
SCHEMBL8985467 0.89 MAPK14 (0.60) MAPK14PTGS2PTGS1HPGDNPC1
SCHEMBL8985339 0.86 MAPK14 (0.67) MAPK14PTGS2PTGS1HPGDKDM4E
SCHEMBL8985520 0.85 MAPK14 (0.66) MAPK14PTGS2PTGS1GCGR
SCHEMBL8985366 0.84 MAPK14 (0.51) MAPK14PTGS2PTGS1TSHRGCGR
SCHEMBL8985225 0.84 MAPK14 (0.55) MAPK14PTGS2PTGS1HPGDNPC1
SCHEMBL8985447 0.83 MAPK14 (0.50) MAPK14PTGS2PTGS1HPGDNPC1
SCHEMBL8985290 0.82 PTGS2 (0.63) MAPK14PTGS2PTGS1HPGDKDM4E
SCHEMBL8985457 0.82 PTGS2 (0.63) MAPK14PTGS2PTGS1HPGDKDM4E
SCHEMBL8985323 0.81 MAPK14 (0.52) MAPK14PTGS2PTGS1HPGDNPC1
SCHEMBL8985495 0.81 MAPK14 (0.52) MAPK14PTGS2PTGS1HPGDNPC1

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