SCHEMBL5532397

SCHEMBL5532397

Cc1cncc(C(=O)O)c1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.50
FABP4 P15090 1/20 0.46
ALDH1A1 P00352 5/20 0.45
MYC P01106 1/20 0.43
POLB P06746 1/20 0.41
HNF4A P41235 1/20 0.41
KDM4E B2RXH2 3/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
ALOX15 P16050 1/20 0.40
RPA1 P27694 1/20 0.40
MCL1 Q07820 1/20 0.40
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
DHODH Q02127 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL2811220 0.87 ALDH1A1 (0.48) LDHAFABP4ALDH1A1HNF4AKDM4E
SCHEMBL21881930 0.80 AKT2 (0.43) ALDH1A1HTTLMNAKMT2AMAPT
SCHEMBL3078886 0.76 HDAC1 (0.44) FABP4ALDH1A1POLBKDM4ELMNA
SCHEMBL4363981 0.76 FABP4 (0.68) LDHAFABP4ALDH1A1MYCPOLB
SCHEMBL29598295 0.75 LDHA (0.46) LDHAFABP4ALDH1A1MYCHNF4A
Hydrochloric Acid SCHEMBL7605502 0.74 FABP4 (0.66) LDHAFABP4ALDH1A1MYCPOLB
SCHEMBL28723383 0.73 KDM4E (0.43) ALDH1A1POLBKDM4ELMNAALOX15
SCHEMBL10205843 0.73 AKT2 (0.42) ALDH1A1POLBKDM4EMEN1KMT2A
SCHEMBL10365151 0.73 MKNK1 (0.56) ALDH1A1KDM4EHTTLMNAALOX15
SCHEMBL6577587 0.72 GABRP (0.42) LDHAALDH1A1KDM4EHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1855670-A2 BENZAZOLE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merck & Co., Inc. (US) 2007-11-21 EP disclosed
WO-2006091496-A2 BENZAZOLE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK & CO., INC. (US) 2006-08-31 WO disclosed