SCHEMBL6973660

SCHEMBL6973660

[CH2]CNC(=O)c1cccc(C#N)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.55
ALDH1A1 P00352 1/20 0.55
GPR139 Q6DWJ6 1/20 0.54
NAMPT P43490 1/20 0.53
GRM5 P41594 1/20 0.51
GAA P10253 1/20 0.51
HDAC3 O15379 1/20 0.49
CHRM3 P20309 1/20 0.48
IRAK4 Q9NWZ3 1/20 0.48
MCHR1 Q99705 1/20 0.47
KAT6A Q92794 2/20 0.47
DRD4 P21917 1/20 0.46
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
S1PR3 Q99500 1/20 0.45
VNN1 O95497 1/20 0.45

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
SCHEMBL6203164 0.84 GPR139 (0.57) GSK3BALDH1A1GPR139NAMPTGRM5
SCHEMBL5540070 0.83 NAMPT (0.73) GSK3BALDH1A1GPR139NAMPTGRM5
SCHEMBL31019130 0.81 GSK3B (0.60) GSK3BALDH1A1GPR139NAMPTGRM5
SCHEMBL1544890 0.81 GSK3B (0.60) GSK3BALDH1A1GPR139NAMPTGRM5
SCHEMBL6970398 0.81 GSK3B (0.56) GSK3BALDH1A1GPR139NAMPTGRM5
SCHEMBL26926680 0.81 GPR139 (0.55) GSK3BALDH1A1GPR139NAMPTGRM5
SCHEMBL12988864 0.81 L3MBTL1 (0.63) GSK3BALDH1A1GPR139NAMPTGRM5
SCHEMBL3610584 0.81 KAT6A (0.59) GSK3BALDH1A1GPR139NAMPTGRM5
SCHEMBL17142140 0.80 HDAC2 (0.64) ALDH1A1GPR139GAACHRM3VNN1
SCHEMBL5628377 0.80 NAMPT (0.56) GSK3BALDH1A1GPR139NAMPTGRM5

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