SCHEMBL6971432

SCHEMBL6971432

COC(=O)N(Cc1cccc(C#N)c1)c1cnn(-c2ccccc2)c1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEP1A Q16819 1/20 0.40
MEP1B Q16820 1/20 0.40
VNN1 O95497 3/20 0.39
MAPK14 Q16539 1/20 0.39
GRM5 P41594 1/20 0.39
NR3C1 P04150 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
ALKBH1 Q13686 1/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL6955000 0.90 PTGES (0.38) MEP1AMEP1BVNN1MAPK14GRM5
SCHEMBL6966121 0.90 MEP1A (0.40) MEP1AMEP1BVNN1MAPK14GRM5
SCHEMBL6963537 0.80 PTGES (0.38) MEP1AMEP1BMAPK14NR3C1CHRM2
SCHEMBL6955361 0.80 PTGES (0.37) MEP1AMEP1BVNN1MAPK14CHRM2
SCHEMBL6973143 0.79 MAPK1 (0.42) MEP1AMEP1BVNN1MAPK14NR3C1
SCHEMBL6959537 0.71 VNN1 (0.48) VNN1RAB9AHPGDLMNAALDH1A1
SCHEMBL6966037 0.70 ALKBH1 (0.43) MEP1AMEP1BVNN1GRM5CHRM2
SCHEMBL6972367 0.70 ALKBH1 (0.42) MEP1AMEP1BVNN1GRM5CHRM2
SCHEMBL6966662 0.69 NPSR1 (0.44) MEP1AMEP1BGRM5NR3C1NPC1
SCHEMBL6960286 0.69 NR3C1 (0.38) MEP1AMEP1BNR3C1CHRM2CHRM1

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