SCHEMBL6973143

SCHEMBL6973143

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
NOTUM Q6P988 1/20 0.42
HPGD P15428 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 1/20 0.41
MAPK14 Q16539 1/20 0.40
MEP1A Q16819 1/20 0.40
MEP1B Q16820 1/20 0.40
NR3C1 P04150 1/20 0.40
HTR6 P50406 1/20 0.39
TSPO P30536 1/20 0.39
VNN1 O95497 1/20 0.39

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
SCHEMBL6963537 0.87 PTGES (0.38) MAPK1NOTUMHPGDNPC1RAB9A
SCHEMBL6966662 0.82 NPSR1 (0.44) NOTUMNPC1RAB9APOLBMEP1A
SCHEMBL6971033 0.80 NR3C1 (0.42) NOTUMHPGDMEP1AMEP1BNR3C1
SCHEMBL6971432 0.79 MEP1A (0.40) HPGDNPC1RAB9APOLBMAPK14
SCHEMBL6966121 0.79 MEP1A (0.40) HPGDNPC1RAB9APOLBMAPK14
SCHEMBL6966037 0.78 ALKBH1 (0.43) NOTUMNPC1MEP1AMEP1BTSPO
SCHEMBL6955000 0.77 PTGES (0.38) MAPK14MEP1AMEP1BNR3C1VNN1
SCHEMBL6955361 0.76 PTGES (0.37) MAPK14MEP1AMEP1BVNN1
SCHEMBL6969060 0.72 ALDH1A1 (0.40) MEP1AMEP1BNR3C1VNN1
SCHEMBL6964408 0.72 ALDH1A1 (0.43) MEP1AMEP1BNR3C1VNN1

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