SCHEMBL878588

SCHEMBL878588

CCCn1cc(-c2ccc([N+](=O)[O-])cc2)cc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.44
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
BCL9 O00512 1/20 0.39
CTNNB1 P35222 1/20 0.39
EIF4A1 P60842 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SRD5A2 P31213 1/20 0.38

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
SCHEMBL883063 0.89 MAPK1 (0.43) ARPOLBMAPK1TDP1RAB9A
SCHEMBL5676062 0.83 AR (0.41) ARTDP1TP53HTTBCL9
SCHEMBL27787015 0.81 PTGS2 (0.45) ARPOLBRAB9ASMN1; SMN2TP53
SCHEMBL28772793 0.78 TLR8 (0.43) ARPOLBRAB9ASMN1; SMN2HTT
SCHEMBL27721850 0.77 MGLL (0.44) ARSMN1; SMN2HTTALDH1A1
SCHEMBL28772854 0.77 MGLL (0.44) ARSMN1; SMN2HTTALDH1A1
SCHEMBL27701350 0.77 MGLL (0.44) ARSMN1; SMN2HTTALDH1A1
SCHEMBL877737 0.76 MMP2 (0.46) ARPOLBMAPK1TDP1RAB9A
SCHEMBL10070272 0.75 SLC6A3 (0.45) ARPOLBRAB9ASMN1; SMN2HTT
SCHEMBL4703944 0.71 HTT (0.40) ARPOLBTDP1SMN1; SMN2TP53

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012038905-A1 THIENOPYRIDINE NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-29 WO disclosed