SCHEMBL8366389

SCHEMBL8366389

COc1cc(OC(=O)NCc2ccccc2)c(Cl)cc1-c1n[nH]c(=O)o1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSD P07339 3/20 0.45
MAPT P10636 3/20 0.43
NOTUM Q6P988 2/20 0.42
HPGD P15428 4/20 0.42
HSD17B10 Q99714 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL8366392 0.79 KDM4E (0.43) CTSDNOTUMKDM4EALDH1A1POLB
SCHEMBL8368075 0.78 MAPT (0.40) MAPTHPGDHSD17B10KDM4EALDH1A1
SCHEMBL8366414 0.76 MAPT (0.40) MAPTALDH1A1POLBKMT2A
SCHEMBL6958154 0.73 KDM4E (0.45) MAPTNOTUMHPGDHSD17B10KDM4E
SCHEMBL8517107 0.72 TP53 (0.41) KDM4E
SCHEMBL717950 0.69 HPGD (0.63) MAPTHPGDHSD17B10KDM4EALDH1A1
SCHEMBL9658483 0.67 PTPN1 (0.52) HPGDHSD17B10KDM4EALDH1A1NPSR1
SCHEMBL9660434 0.67 HPGD (0.54) HPGDKDM4EALDH1A1POLB
SCHEMBL18394492 0.67 ALDH1A1 (0.68) NOTUMHSD17B10KDM4EALDH1A1MEN1
SCHEMBL29664535 0.67 ALDH1A1 (0.68) NOTUMHSD17B10KDM4EALDH1A1MEN1

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-5929089-A ANTISEROTONINE AGENT SYNTHELABO (FR) 1999-07-27 US disclosed