SCHEMBL6966121

SCHEMBL6966121

COC(=O)N(Cc1cccc(C#N)c1)c1cnn(-c2ccccc2)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEP1A Q16819 1/20 0.40
MEP1B Q16820 1/20 0.40
NPBWR1 P48145 1/20 0.39
MCHR1 Q99705 1/20 0.39
VNN1 O95497 4/20 0.38
PDK1 Q15118 1/20 0.38
MAPK14 Q16539 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
NR3C1 P04150 1/20 0.38
POLB P06746 1/20 0.37
ALKBH1 Q13686 1/20 0.36
HPGD P15428 1/20 0.36
CCR5 P51681 1/20 0.36
GRM5 P41594 1/20 0.36

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
SCHEMBL6955361 0.90 PTGES (0.37) MEP1AMEP1BNPBWR1MCHR1VNN1
SCHEMBL6971432 0.90 MEP1A (0.40) MEP1AMEP1BVNN1MAPK14NPC1
SCHEMBL6955000 0.80 PTGES (0.38) MEP1AMEP1BVNN1MAPK14MEN1
SCHEMBL6963537 0.80 PTGES (0.38) MEP1AMEP1BMAPK14NPC1RAB9A
SCHEMBL6973143 0.79 MAPK1 (0.42) MEP1AMEP1BVNN1MAPK14NPC1
SCHEMBL6960930 0.71 VNN1 (0.47) VNN1MAPK14RAB9AMEN1KMT2A
SCHEMBL6966037 0.69 ALKBH1 (0.43) MEP1AMEP1BVNN1PDK1NPC1
SCHEMBL6972367 0.69 ALKBH1 (0.42) MEP1AMEP1BVNN1PDK1NPC1
SCHEMBL6966662 0.69 NPSR1 (0.44) MEP1AMEP1BPDK1NPC1RAB9A
SCHEMBL6960286 0.69 NR3C1 (0.38) 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