SCHEMBL10370702

SCHEMBL10370702

COc1cc(N=C=S)c(Cl)cc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.43
ALDH1A1 P00352 6/20 0.43
HPGD P15428 2/20 0.43
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
GAA P10253 2/20 0.40
HSD17B10 Q99714 2/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
NPSR1 Q6W5P4 2/20 0.37
MAPT P10636 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GFER P55789 1/20 0.36
POLB P06746 1/20 0.35
HTT P42858 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL10470722 0.87 GAA (0.56) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL10369782 0.84 LCK (0.50) KDM4EALDH1A1HPGDLCKFYN
SCHEMBL3009294 0.83 LCK (0.49) KDM4EALDH1A1HPGDLCKFYN
SCHEMBL11460779 0.81 GAA (0.52) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL24453346 0.81 APLNR (0.39) KDM4EALDH1A1HPGDGAANPSR1
SCHEMBL10370918 0.80 GAA (0.54) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL10704773 0.79 NPC1 (0.46) KDM4EALDH1A1HPGDGAANPSR1
SCHEMBL30542197 0.79 NPC1 (0.46) KDM4EALDH1A1HPGDGAANPSR1
SCHEMBL11377779 0.79 ALDH1A1 (0.43) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL11380228 0.79 LRRK2 (0.40) KDM4EALDH1A1HPGDGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0236646-B1 ORTHO-ANISAMIDES, PROCESS FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL APPLICATIONS Laboratoires DELAGRANGE, Société Anonyme (FR) 1990-10-10 EP disclosed
US-4914117-A ANTIDEPRESSANTS, CENTRAL NERVOUS SYSTEM ACTIVATORS; DOPAMINE ANTAGONISTS SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLE DE L'ILE-D-FRANCE (FR) 1990-04-03 US disclosed
US-4835172-A Novel benzamides, intermediates and process for the preparation and therapeutic use thereof SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1989-05-30 US disclosed
EP-0236646-A1 Ortho-anisamides, process for their preparation and their pharmaceutical applications Laboratoires DELAGRANGE, Société Anonyme (FR) 1987-09-16 EP disclosed