SCHEMBL17144657

SCHEMBL17144657

O=C(O)c1ccnc(CNCc2nccn2CC=Cc2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 10/20 0.44
▸ KDM4A O75164 5/20 0.44
▸ KDM5C P41229 5/20 0.44
▸ KDM4B O94953 2/20 0.44
▸ KDM5A P29375 4/20 0.39
▸ KDM2B Q8NHM5 2/20 0.39
▸ KDM6B O15054 1/20 0.39
▸ OPRD1 P41143 1/20 0.38
▸ TBXAS1 P24557 2/20 0.38
▸ KDM4C Q9H3R0 4/20 0.38
▸ MCHR1 Q99705 2/20 0.38
▸ PPARG P37231 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ SMN1; SMN2 Q16637 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
SCHEMBL17144655 1.00 KDM5B (0.44) KDM5BKDM4AKDM5CKDM4BKDM5A
SCHEMBL17683817 0.71 ALDH1A1 (0.34) TBXAS1SMN1; SMN2
SCHEMBL17549930 0.69 MEN1 (0.32) KDM5BKDM4AKDM5CKDM5AKDM2B
SCHEMBL15639200 0.68 HDAC6 (0.51) KDM5BKDM4AKDM5CKDM4BKDM5A
SCHEMBL15637011 0.68 KDM5B (0.77) KDM5BKDM4AKDM5CKDM4BKDM5A
SCHEMBL17670491 0.67 HDAC1 (0.35) PPARGPPARA
SCHEMBL17670494 0.67 HDAC1 (0.35) PPARGPPARA
SCHEMBL7359022 0.67 OPRD1 (0.45) OPRD1TBXAS1MCHR1PPARGPPARA
SCHEMBL17670496 0.67 ALDH1A1 (0.40) KDM5BKDM4AKDM5CKDM4BKDM5A
SCHEMBL17144440 0.65 KDM5B (0.49) KDM5BKDM4AKDM5CKDM4BKDM5A

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
EP-3126345-A1 INHIBITORS OF HISTONE DEMETHYLASES Gilead Sciences, Inc. (US) 2017-02-08 — — EP claimed
WO-2015153498-A1 INHIBITORS OF HISTONE DEMETHYLASES EPITHERAPEUTICS, APS (DK) 2015-10-08 — — WO claimed
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