SCHEMBL6964182

SCHEMBL6964182

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEP1A Q16819 1/20 0.38
MEP1B Q16820 1/20 0.38
PDK1 Q15118 1/20 0.36
PTGES O14684 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
IDH1 O75874 1/20 0.34
GLA P06280 1/20 0.33
CYP19A1 P11511 2/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
ENPP2 Q13822 1/20 0.33
HTR6 P50406 1/20 0.33
NOTUM Q6P988 1/20 0.33
KLKB1 P03952 2/20 0.33
ABCB1 P08183 1/20 0.33
KLK1 P06870 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL6957643 0.82 MEP1A (0.42) MEP1AMEP1BPDK1CHRM2CHRM1
SCHEMBL6966662 0.79 NPSR1 (0.44) MEP1AMEP1BPDK1NOTUMPOLB
SCHEMBL6972391 0.77 MEP1A (0.39) MEP1AMEP1BPDK1CHRM2CHRM1
SCHEMBL6967001 0.76 BCL2A1 (0.42) MEP1AMEP1BPDK1CYP19A1CYP11B1
SCHEMBL6971363 0.74 AR (0.39) MEP1AMEP1BPDK1
SCHEMBL6970219 0.73 MEP1A (0.41) MEP1AMEP1BPDK1CHRM2CHRM1
SCHEMBL6968946 0.73 MEP1A (0.39) MEP1AMEP1BPDK1CHRM2CHRM1
SCHEMBL6971350 0.72 MEP1A (0.44) MEP1AMEP1BPDK1CHRM2CHRM1
SCHEMBL6962908 0.72 MEP1A (0.36) MEP1AMEP1BPDK1CHRM2CHRM1
SCHEMBL6966010 0.71 MEP1A (0.39) MEP1AMEP1BPDK1CHRM2CHRM1

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