SCHEMBL11229013

SCHEMBL11229013

CNC(=O)C(SC)c1cc(Cl)cc(C(=O)c2ccccc2)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38
GABRA6 Q16445 1/20 0.38
GABRG1 Q8N1C3 1/20 0.38
GABRG3 Q99928 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
SCHEMBL1569040 0.88 ALOX15 (0.41) MAPTMAPK14GABRPGABRDGABRA1
SCHEMBL11221498 0.83 GAA (0.43) MAPTMAPK14LMNAALDH1A1SMN1; SMN2
SCHEMBL11224675 0.77 ALOX15 (0.40) MAPTMAPK14GABRPGABRDGABRA1
SCHEMBL11217519 0.75 S100B (0.40) MAPTMAPK14GABRPGABRDGABRA1
SCHEMBL9853493 0.73 MAPT (0.39) MAPTMAPK13MAPK12MAPK11MAPK14
SCHEMBL27536792 0.73 MAPT (0.40) MAPTMAPK14GABRPGABRDGABRA1
SCHEMBL10396987 0.72 MAPT (0.47) MAPTMAPK14GABRPGABRDGABRA1
SCHEMBL9853536 0.72 MAPT (0.39) MAPTMAPK13MAPK12MAPK11MAPK14
SCHEMBL23337438 0.72 MAPT (0.55) MAPTMAPK13MAPK12MAPK11MAPK14
SCHEMBL14917164 0.72 MAPT (0.50) MAPTMAPK13MAPK12MAPK11MAPK14

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-4313949-A Method of producing an inhibitory effect on blood platelet aggregation A. H. ROBINS COMPANY, INC. (US) 1982-02-02 US disclosed