SCHEMBL6971033

SCHEMBL6971033

CC(=O)N(Cc1cccc(C#N)c1)c1cn(-c2ccccc2)nc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.42
MEP1A Q16819 1/20 0.40
MEP1B Q16820 1/20 0.40
NOTUM Q6P988 1/20 0.39
HTR6 P50406 1/20 0.39
TSPO P30536 1/20 0.39
PDK1 Q15118 1/20 0.38
CACNA2D1 P54289 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
ALDH1A1 P00352 3/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
PKM P14618 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 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
SCHEMBL6960286 0.87 NR3C1 (0.38) NR3C1MEP1AMEP1BPDK1CACNA2D1
SCHEMBL6966037 0.80 ALKBH1 (0.43) MEP1AMEP1BNOTUMTSPOPDK1
SCHEMBL6966662 0.80 NPSR1 (0.44) NR3C1MEP1AMEP1BNOTUMTSPO
SCHEMBL6973143 0.80 MAPK1 (0.42) NR3C1MEP1AMEP1BNOTUMHTR6
SCHEMBL15357022 0.74 TSPO (0.42) HTR6TSPOALDH1A1NPSR1MEN1
SCHEMBL6969995 0.72 ACP1 (0.45) DRD2DRD4DRD3ALDH1A1HSD17B10
SCHEMBL29331970 0.72 NOTUM (0.57) NOTUMALDH1A1MEN1HPGDKMT2A
SCHEMBL6971350 0.71 MEP1A (0.44) NR3C1MEP1AMEP1BTSPOPDK1
SCHEMBL6970219 0.70 MEP1A (0.41) NR3C1MEP1AMEP1BNOTUMPDK1
SCHEMBL6972391 0.70 MEP1A (0.39) MEP1AMEP1BNOTUMPDK1ALDH1A1

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-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed