SCHEMBL9256777

SCHEMBL9256777

CCc1cccc(C(=O)NC)c1NC(C)C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CLCN2 P51788 1/20 0.44
HTT P42858 3/20 0.43
PLK1 P53350 2/20 0.42
GAA P10253 1/20 0.41
CXCR2 P25025 2/20 0.40
CACNA1C Q13936 2/20 0.39
SCN5A Q14524 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ANPEP P15144 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL10037111 0.79 ELANE (0.45) CLCN2HTTCACNA1CSCN5AKDM4E
SCHEMBL9256791 0.77 CXCR2 (0.44) CLCN2PLK1GAACXCR2HSD17B10
SCHEMBL20972350 0.76 PLK1 (0.50) CLCN2HTTPLK1GAACXCR2
SCHEMBL5954191 0.76 GAA (0.57) CLCN2HTTPLK1GAAKDM4E
SCHEMBL10705279 0.75 ALDH1A1 (0.45) HTTGAAKDM4EALDH1A1HSD17B10
SCHEMBL23879805 0.73 PLK1 (0.47) PLK1GAACXCR2ALDH1A1MEN1
SCHEMBL24529131 0.73 KAT6A (0.57) CLCN2HTTPLK1GAACXCR2
SCHEMBL11288221 0.73 PTGS2 (0.46) HTTKDM4EALDH1A1HSD17B10MEN1
SCHEMBL21454987 0.71 GAA (0.52) HTTPLK1GAACXCR2KDM4E
SCHEMBL21590263 0.71 PLK1 (0.45) CLCN2HTTPLK1GAACXCR2

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-0672032-A1 NOVEL PHENYLETHYL AND PHENYLPROPYLAMINES Astra Aktiebolag (SE) 1995-09-20 EP disclosed