SCHEMBL11145628

SCHEMBL11145628

CN1C(=O)CSC1=NC(=O)Nc1c(Cl)cccc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 4/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ NPC1 O15118 4/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ USP2 O75604 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ THRB P10828 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MAPT P10636 4/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ CYP3A4 P08684 1/20 0.34
▸ GRM1 Q13255 1/20 0.34

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
SCHEMBL11155555 0.92 GRM5 (0.46) GRM5MEN1KMT2ANPC1RAB9A
SCHEMBL11155554 0.92 GRM5 (0.46) GRM5MEN1KMT2ANPC1RAB9A
SCHEMBL11143146 0.92 MEN1 (0.45) GRM5MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL11143150 0.92 MEN1 (0.45) GRM5MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL11141779 0.87 GRM5 (0.42) GRM5MEN1KMT2ANPC1RAB9A
SCHEMBL11144521 0.87 GRM5 (0.42) GRM5MEN1KMT2ANPC1RAB9A
SCHEMBL11146311 0.86 GRM5 (0.42) GRM5MEN1KMT2ANPC1RAB9A
SCHEMBL11148292 0.84 L3MBTL1 (0.41) GRM5MEN1KMT2ANPC1RAB9A
SCHEMBL11144761 0.84 ALDH1A1 (0.44) GRM5MEN1KMT2ANPC1RAB9A
SCHEMBL11147044 0.84 MEN1 (0.39) GRM5MEN1KMT2ANPC1ALDH1A1

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-4402964-A N-Aryl-N'-(3-methyl or ethyl-4-oxothiazolidinylidene)ureas useful for the treatment of epilepsy MCNEILAB, INC. (US) 1983-09-06 — — US disclosed
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