SCHEMBL16095329

SCHEMBL16095329

O=C(O)c1ccnc(-c2c[nH]c(CCNCc3ccccc3C(F)(F)F)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.45
▸ KDM5A P29375 5/20 0.42
▸ KDM5B Q9UGL1 5/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ KDM5C P41229 2/20 0.42
▸ KDM4C Q9H3R0 6/20 0.40
▸ KDM4A O75164 4/20 0.40
▸ KDM6B O15054 1/20 0.40
▸ KDM2A Q9Y2K7 1/20 0.40
▸ KDM3A Q9Y4C1 1/20 0.40
▸ ALKBH2 Q6NS38 1/20 0.39
▸ ALKBH3 Q96Q83 1/20 0.39
▸ FTO Q9C0B1 1/20 0.39
▸ CDC7 O00311 1/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ PRKACA P17612 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ HIPK2 Q9H2X6 1/20 0.38

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
SCHEMBL16102028 0.88 KDM4C (0.44) EPHX2KDM5AKDM5BKDM4EKDM5C
SCHEMBL16095770 0.87 KDM5B (0.45) KDM5AKDM5BKDM4EKDM5CKDM4C
SCHEMBL16095346 0.87 KDM4C (0.52) KDM5AKDM5BKDM4EKDM5CKDM4C
SCHEMBL16094676 0.80 KDM5A (0.49) KDM5AKDM5BKDM4EKDM5CKDM4C
SCHEMBL16095328 0.79 KDM4C (0.43) KDM5AKDM5BKDM4EKDM5CKDM4C
SCHEMBL16033753 0.77 KDM5A (0.60) KDM5AKDM5BKDM4CKDM4A
SCHEMBL16094521 0.77 KDM5B (0.59) KDM5AKDM5BKDM4EKDM5CKDM4C
SCHEMBL16095193 0.75 KDM4C (0.59) KDM5AKDM5BKDM4EKDM5CKDM4C
SCHEMBL20978930 0.75 EPHX2 (0.41) EPHX2KDM5AKDM5BKDM4EKDM5C
SCHEMBL16095432 0.74 KDM5B (0.50) KDM5AKDM5BKDM4EKDM5CKDM4C

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-2969007-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals Inc (US) 2016-01-20 — — EP disclosed
WO-2014151945-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2014-09-25 — — WO disclosed
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