SCHEMBL6957643

SCHEMBL6957643

COC(=O)N(Cc1cccc(C#N)c1)c1c(C)nn(C(=O)OC)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEP1A Q16819 1/20 0.42
MEP1B Q16820 1/20 0.42
PDK1 Q15118 1/20 0.38
IDH1 O75874 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
NR3C1 P04150 1/20 0.37
VNN1 O95497 2/20 0.37
KLKB1 P03952 2/20 0.36
KLK1 P06870 1/20 0.36
GPR6 P46095 1/20 0.35
GRIA2 P42262 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GLA P06280 1/20 0.35
CYP2D6 P10635 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP11B1 P15538 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
SCHEMBL6964182 0.82 MEP1A (0.38) MEP1AMEP1BPDK1IDH1CHRM2
SCHEMBL6964459 0.80 IDH1 (0.37) MEP1AMEP1BPDK1IDH1CHRM2
SCHEMBL6970219 0.73 MEP1A (0.41) MEP1AMEP1BPDK1IDH1CHRM2
SCHEMBL6965457 0.73 MEP1A (0.37) MEP1AMEP1BPDK1IDH1CHRM2
SCHEMBL6966662 0.73 NPSR1 (0.44) MEP1AMEP1BPDK1NR3C1HSD17B10
SCHEMBL6968946 0.71 MEP1A (0.39) MEP1AMEP1BPDK1IDH1CHRM2
SCHEMBL6970716 0.71 F11 (0.39) MEP1AMEP1BPDK1IDH1CHRM2
SCHEMBL6966010 0.71 MEP1A (0.39) MEP1AMEP1BPDK1IDH1CHRM2
SCHEMBL6972391 0.71 MEP1A (0.39) MEP1AMEP1BPDK1IDH1CHRM2
SCHEMBL6966005 0.71 MEP1A (0.39) MEP1AMEP1BPDK1IDH1CHRM2

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