SCHEMBL7424237

SCHEMBL7424237

Cc1cc(NC(=O)C(CS)Cc2ccc(N)c(C)c2C)cc(C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RCE1 Q9Y256 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.35
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
PGGT1B P53609 1/20 0.34
TPMT P51580 1/20 0.33

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
SCHEMBL7436909 0.87 ALDH1A1 (0.46) MEN1KMT2AALDH1A1FNTAFNTB
SCHEMBL7427956 0.80 MME (0.51) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL7433301 0.78 MEN1 (0.54) MEN1KMT2AHTTNPSR1POLB
SCHEMBL7424227 0.75 MEN1 (0.48) MEN1KMT2AHTTNPSR1
Hydrochloric Acid SCHEMBL9456684 0.74 MEN1 (0.47) MEN1KMT2AHTTNPSR1
SCHEMBL7427703 0.68 FOLH1 (0.52) MEN1KMT2AALDH1A1
SCHEMBL7425832 0.68 MEN1 (0.52) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL7427580 0.67 MME (0.52) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL7427744 0.65 PPARA (0.48) ALDH1A1THRBHPGDL3MBTL1FNTA
SCHEMBL7430189 0.65 CYP1A2 (0.50) MEN1KMT2AHTTNPSR1ALDH1A1

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-0318859-A2 N-substituted mercaptopropanamide derivatives Dainippon Pharmaceutical Co., Ltd. (JP) 1989-06-07 EP disclosed