SCHEMBL8985237

SCHEMBL8985237

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MAPK1 P28482 2/20 0.56
NR2F2 P24468 1/20 0.56
GALR3 O60755 1/20 0.54
GSK3B P49841 1/20 0.51
MAPT P10636 5/20 0.50
PKM P14618 2/20 0.50
GAA P10253 1/20 0.50
ALDH1A1 P00352 5/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CES1 P23141 1/20 0.46
HAO1 Q9UJM8 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45

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
SCHEMBL28872876 0.83 PKM (0.62) NPC1RAB9ASMN1; SMN2MAPK1GSK3B
SCHEMBL8985359 0.80 NPC1 (0.59) NPC1RAB9ASMN1; SMN2GSK3BMAPT
SCHEMBL668743 0.80 NPC1 (0.63) NPC1RAB9ASMN1; SMN2GSK3BMAPT
SCHEMBL7832348 0.80 NPC1 (0.65) NPC1RAB9ASMN1; SMN2MAPK1GSK3B
SCHEMBL6386624 0.80 SRD5A2 (0.57) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4319309 0.80 CES2 (0.61) NPC1RAB9AMAPK1GSK3BMAPT
SCHEMBL199347 0.80 CRHBP (0.62) KDM4ENPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL13236074 0.79 MAPT (0.53) RAB9AMAPK1GSK3BMAPTPKM
SCHEMBL28872884 0.79 MEN1 (0.53) KDM4ENPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL10477098 0.79 GSK3B (0.51) MAPK1GSK3BMAPTPKMGAA

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