SCHEMBL19670802

SCHEMBL19670802

Nc1ccc(N=O)c(C(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.57
MAPT P10636 6/20 0.57
KMT2A Q03164 6/20 0.57
TDP1 Q9NUW8 6/20 0.57
ALDH1A1 P00352 6/20 0.57
MEN1 O00255 5/20 0.57
THRB P10828 3/20 0.57
HSD17B10 Q99714 3/20 0.57
RECQL P46063 2/20 0.57
CYP3A4 P08684 2/20 0.57
POLB P06746 2/20 0.57
MCL1 Q07820 2/20 0.57
CASP1 P29466 2/20 0.57
CASP7 P55210 2/20 0.57
USP2 O75604 2/20 0.57
ALOX15 P16050 2/20 0.57
PKM P14618 1/20 0.57
APEX1 P27695 1/20 0.57
BLM P54132 1/20 0.57
TNF P01375 1/20 0.57

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
SCHEMBL13985596 0.84 ALDH1A1 (0.57) KDM4EMAPTKMT2ATDP1ALDH1A1
SCHEMBL19050355 0.78 MEN1 (0.47) KDM4EMAPTKMT2ATDP1ALDH1A1
SCHEMBL11145898 0.78 MEN1 (0.61) MAPTKMT2ATDP1ALDH1A1MEN1
SCHEMBL231377 0.76 ALDH1A1 (0.68) KDM4EMAPTKMT2ATDP1ALDH1A1
SCHEMBL29364937 0.76 ALDH1A1 (0.68) KDM4EMAPTKMT2ATDP1ALDH1A1
SCHEMBL28238985 0.76 KDM4E (0.55) KDM4EMAPTKMT2ATDP1ALDH1A1
SCHEMBL3186264 0.76 MAPT (0.39) KDM4EMAPTKMT2ATDP1ALDH1A1
SCHEMBL9892495 0.76 CSNK2A1 (0.57) KDM4EKMT2AALDH1A1MEN1POLB
SCHEMBL13081781 0.76 KEAP1 (0.55) KDM4EMAPTKMT2ATDP1ALDH1A1
SCHEMBL16310776 0.76 ALDH1A1 (0.40) KDM4EMAPTKMT2ATDP1ALDH1A1

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
US-9833425-B2 Gentisic acid is used to improve systemic hemodynamics, hepatic mitochondrial function and lactate acidemia in patients with septic shock UNIVERSITY OF MANITOBA (CA) 2017-12-05 US disclosed