SCHEMBL8985476

SCHEMBL8985476

CSc1ccc(-c2ccsc2-c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 6/20 0.62
GSK3B P49841 1/20 0.44
PTGS2 P35354 10/20 0.43
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NR2F2 P24468 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
APP P05067 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
SCHEMBL8985381 0.81 PTGS1 (0.60) PTGS1PTGS2
SCHEMBL8985240 0.80 PTGS2 (0.69) PTGS1PTGS2
SCHEMBL514483 0.78 HSD17B10 (0.56) GSK3BNPC1RAB9AKDM4ENR2F2
SCHEMBL8985431 0.77 PTGS1 (1.00) PTGS1PTGS2
SCHEMBL8985534 0.77 PTGS1 (0.71) PTGS1PTGS2RAB9A
SCHEMBL10567384 0.77 PTGS1 (1.00) PTGS1PTGS2
SCHEMBL8985333 0.77 GSK3B (0.42) PTGS1GSK3BPTGS2NPC1RAB9A
SCHEMBL8985460 0.77 PTGS2 (0.46) PTGS1GSK3BPTGS2NPC1RAB9A
SCHEMBL6517923 0.75 PTGS1 (0.68) PTGS1GSK3BPTGS2
SCHEMBL8985432 0.74 MAPK14 (0.46) PTGS1GSK3BPTGS2NPC1RAB9A

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