SCHEMBL12811758

SCHEMBL12811758

O=C(O)c1ccnc(Oc2ccc(CCNc3ncnc4nccnc34)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 3/20 0.43
▸ CSNK2A2 P19784 4/20 0.39
▸ CSNK2A1 P68400 4/20 0.39
▸ P2RX3 P56373 5/20 0.39
▸ CSNK2B P67870 1/20 0.39
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ AURKA O14965 1/20 0.38
▸ RPS6KB1 P23443 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ KDM5A P29375 1/20 0.38
▸ KDM5C P41229 1/20 0.38
▸ KDM5B Q9UGL1 1/20 0.38
▸ PLAAT3 P53816 1/20 0.38
▸ PLAAT5 Q96KN8 1/20 0.38
▸ PLAAT2 Q9NWW9 1/20 0.38
▸ PLAAT4 Q9UL19 1/20 0.38
▸ FFAR1 O14842 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ OPRM1 P35372 1/20 0.37

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
SCHEMBL12788461 0.90 AURKA (0.41) LOXL2AURKARPS6KB1KDM4EKDM5C
SCHEMBL12788103 0.89 AURKA (0.36) LOXL2AURKARPS6KB1PLAAT3PLAAT5
SCHEMBL12788779 0.88 HTT (0.42) LOXL2AURKARPS6KB1KDM4ETP53
SCHEMBL12788724 0.87 AURKA (0.37) LOXL2AURKARPS6KB1KDM4EPLAAT3
SCHEMBL12788812 0.87 AURKA (0.37) LOXL2AURKARPS6KB1KDM5BPLAAT3
SCHEMBL12811364 0.86 OPRM1 (0.50) P2RX3CNR1CNR2AURKARPS6KB1
SCHEMBL12788768 0.86 AURKA (0.36) LOXL2AURKARPS6KB1KDM5BPLAAT3
SCHEMBL12788098 0.84 TP53 (0.38) LOXL2AURKARPS6KB1KDM4ETP53
SCHEMBL12811543 0.84 TP53 (0.41) AURKARPS6KB1KDM4ETP53MAP2K7
SCHEMBL1437346 0.84 TP53 (0.39) AURKARPS6KB1KDM4ETP53MAP2K7

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
WO-2011025505-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC (US) 2011-03-03 — — WO disclosed
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