SCHEMBL11099515

SCHEMBL11099515

CN(c1ccccc1)c1ccc([N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.71
TP53 P04637 1/20 0.62
HTT P42858 1/20 0.62
MAPT P10636 6/20 0.51
CTSV O60911 1/20 0.51
CTSL P07711 1/20 0.51
ATM Q13315 2/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
CYP3A4 P08684 1/20 0.48
ALOX15 P16050 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 1/20 0.46
GLA P06280 1/20 0.46
MYC P01106 1/20 0.46
MAX P61244 1/20 0.46

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
SCHEMBL3885646 0.83 ALDH1A1 (1.00) ALDH1A1TP53HTTMAPTCTSV
SCHEMBL28468319 0.81 KMT2A (0.55) ALDH1A1TP53HTTMAPTATM
SCHEMBL28455320 0.81 ALDH1A1 (0.51) ALDH1A1MAPTATMMEN1KMT2A
SCHEMBL6846910 0.80 TP53 (0.62) ALDH1A1TP53HTTMAPTCTSV
SCHEMBL11107017 0.80 ALDH1A1 (0.68) ALDH1A1TP53HTTMAPTCTSV
SCHEMBL6819389 0.79 HSD17B10 (0.50) ALDH1A1MAPTATMMEN1KMT2A
SCHEMBL27581466 0.79 TP53 (0.61) ALDH1A1TP53HTTMAPTCTSV
SCHEMBL28286414 0.77 CSNK2A1 (0.49) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL6228852 0.77 ALDH1A1 (0.55) ALDH1A1TP53HTTMAPTCTSV
SCHEMBL7586296 0.77 MAPT (0.54) ALDH1A1TP53HTTMAPTCTSV

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
EP-0063826-B1 2-AMINO-BENZOIC-ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICINES OR INTERMEDIATES Dr. Karl Thomae GmbH (DE) 1984-12-05 EP disclosed
EP-0063826-A2 2-Amino-benzoic-acid derivatives, their preparation and their use as medicines or intermediates Dr. Karl Thomae GmbH (DE) 1982-11-03 EP disclosed
EP-0023569-A1 Derivatives of carboxylic acids, their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1981-02-11 EP disclosed