SCHEMBL28776509

SCHEMBL28776509

Nc1ccc(-c2ccc(-c3nc4c(ncn4-c4c[c]ccc4)c(=O)n3-c3ccc(Cl)cc3)cc2)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 6/20 0.38
MAPT P10636 1/20 0.34
ALDH1A1 P00352 3/20 0.33
USP2 O75604 3/20 0.33
CYP1A2 P05177 3/20 0.33
CASP1 P29466 3/20 0.33
CASP7 P55210 3/20 0.33
HSD17B10 Q99714 3/20 0.33
TSHR P16473 1/20 0.33
MCHR1 Q99705 2/20 0.33
PI4KA P42356 1/20 0.32
PI4K2B Q8TCG2 1/20 0.32
PI4K2A Q9BTU6 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
GRM1 Q13255 4/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
HIF1A Q16665 2/20 0.32
LMNA P02545 1/20 0.32
CYP2D6 P10635 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
SCHEMBL27765794 0.86 AOC3 (0.40) XDHMAPTALDH1A1USP2CYP1A2
SCHEMBL4165895 0.84 XDH (0.38) XDHMAPTMCHR1GRM1
SCHEMBL27744844 0.83 MAPT (0.51) MAPTALDH1A1TSHRGRM1KMT2A
SCHEMBL4164283 0.83 GRM1 (0.47) XDHMAPTMCHR1GRM1PTGS2
SCHEMBL4158635 0.82 XDH (0.38) XDHMAPTMCHR1GRM1TP53
SCHEMBL4168810 0.82 GRM1 (0.41) XDHMAPTMCHR1GRM1TP53
SCHEMBL4161595 0.80 TDP2 (0.42) XDHMAPTMCHR1GRM1PTGS2
SCHEMBL1753599 0.76 XDH (0.42) XDHMAPTALDH1A1USP2CYP1A2
SCHEMBL1689332 0.75 GRM1 (0.48) XDHMAPTALDH1A1USP2CYP1A2
SCHEMBL1689013 0.75 GRM1 (0.50) XDHMAPTALDH1A1USP2CYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101454327-A Azolopyrimidines as inhibitors of cannabinoid 1 activity IRM LLC (BM) 2009-06-10 CN claimed
CN-101454327-A Azolopyrimidines as inhibitors of cannabinoid 1 activity IRM LLC (BM) 2009-06-10 CN disclosed