SCHEMBL7534010

SCHEMBL7534010

C=CCc1[c]c[nH]c(=O)c1[N+](=O)[O-]

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
RECQL P46063 1/20 0.31
CASP6 P55212 1/20 0.31
GFER P55789 1/20 0.31
KMT2A Q03164 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL7701112 0.70 TSHR (0.35) ALDH1A1POLBTDP1
SCHEMBL8820551 0.70 GRIN2D (0.41) ALDH1A1GAAMAPT
SCHEMBL10770627 0.62
SCHEMBL7363085 0.61 SRD5A1 (0.42) MEN1ALDH1A1POLBGAAMAPT
SCHEMBL831218 0.61 TDP1 (0.37) MEN1ALDH1A1POLBMAPTRECQL
SCHEMBL7701111 0.60 ALDH1A1 (0.32) ALDH1A1POLBTDP1
SCHEMBL11172226 0.60 ALDH1A1 (0.47) MEN1ALDH1A1POLBMAPTKMT2A
SCHEMBL8677859 0.59
SCHEMBL8299813 0.59 MEN1 (0.39) MEN1ALDH1A1POLBGAAMAPT
SCHEMBL10336520 0.58 NPSR1 (0.30)

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
EP-0804464-B1 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INT INC (US) 2002-05-08 EP claimed