SCHEMBL6966037

SCHEMBL6966037

CC(=O)N(Cc1cccc(C#N)c1)c1cnn(-c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH1 Q13686 1/20 0.43
TSPO P30536 2/20 0.42
MEP1A Q16819 1/20 0.41
MEP1B Q16820 1/20 0.41
GRM5 P41594 1/20 0.40
VNN1 O95497 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
PDK1 Q15118 1/20 0.39
ACACB O00763 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
NOTUM Q6P988 1/20 0.38
ERCC5 P28715 1/20 0.37
HPGDS O60760 1/20 0.37
ALKBH2 Q6NS38 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CASP1 P29466 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
SCHEMBL6972367 0.86 ALKBH1 (0.42) ALKBH1MEP1AMEP1BGRM5VNN1
SCHEMBL6971033 0.80 NR3C1 (0.42) ALKBH1TSPOMEP1AMEP1BMEN1
SCHEMBL6973143 0.78 MAPK1 (0.42) TSPOMEP1AMEP1BVNN1NPC1
SCHEMBL6966662 0.74 NPSR1 (0.44) TSPOMEP1AMEP1BGRM5MEN1
SCHEMBL6959326 0.72 VNN1 (0.51) ALKBH1GRM5VNN1HSD17B10ALDH1A1
SCHEMBL6960286 0.70 NR3C1 (0.38) ALKBH1MEP1AMEP1BPDK1CHRM2
SCHEMBL6971432 0.70 MEP1A (0.40) ALKBH1MEP1AMEP1BGRM5VNN1
SCHEMBL6966121 0.69 MEP1A (0.40) ALKBH1MEP1AMEP1BGRM5VNN1
SCHEMBL31517446 0.69 GRM5 (0.50) ALKBH1GRM5MEN1KMT2ANPC1
SCHEMBL6963537 0.68 PTGES (0.38) ALKBH1MEP1AMEP1BNPC1CHRM2

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