SCHEMBL8985333

SCHEMBL8985333

CSc1ccc(-c2cc(Cl)sc2-c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.42
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPK1 P28482 2/20 0.41
NR2F2 P24468 1/20 0.41
APP P05067 2/20 0.40
PTGS2 P35354 2/20 0.38
POLB P06746 2/20 0.38
CDK2 P24941 1/20 0.38
ALDH1A1 P00352 4/20 0.37
MAPT P10636 4/20 0.37
PSD A5PKW4 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TNFSF10 P50591 1/20 0.36
PTGS1 P23219 1/20 0.36
C1S P09871 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36

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
SCHEMBL8985460 0.84 PTGS2 (0.46) GSK3BKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL8985432 0.81 MAPK14 (0.46) GSK3BKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL8985312 0.81 MAPK14 (0.48) GSK3BKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL8985294 0.79 PTGS1 (0.40) SMN1; SMN2NPC1RAB9AMAPK1APP
SCHEMBL8985476 0.77 PTGS1 (0.62) GSK3BKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL8985279 0.76 MAPK14 (0.53) KDM4ESMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL8985365 0.75 PTGS1 (0.35) GSK3BSMN1; SMN2NPC1RAB9APTGS2
SCHEMBL8985459 0.75 CYP1A2 (0.37) GSK3BKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL8985463 0.74 PTGS1 (0.35) NPC1PTGS2ALDH1A1PTGS1
SCHEMBL514483 0.74 HSD17B10 (0.56) GSK3BKDM4ESMN1; SMN2NPC1RAB9A

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