SCHEMBL17621777

SCHEMBL17621777

CC(C)C(c1ccc(I)cc1)n1cnc(-c2cc(-c3nn[nH]c3C(F)(F)F)ccn2)c1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 14/20 0.57
▸ KDM2B Q8NHM5 4/20 0.57
▸ KDM4C Q9H3R0 5/20 0.51
▸ KDM5A P29375 3/20 0.51
▸ KDM4A O75164 1/20 0.42
▸ KDM6B O15054 1/20 0.40
▸ PHF8 Q9UPP1 2/20 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
SCHEMBL17695512 0.92 KDM5B (0.58) KDM5BKDM2BKDM4CKDM5AKDM4A
SCHEMBL17695519 0.91 KDM5B (0.57) KDM5BKDM2BKDM4CKDM5AKDM4A
SCHEMBL17621784 0.91 KDM5B (0.69) KDM5BKDM2BKDM4CKDM5AKDM4A
SCHEMBL17621697 0.88 KDM5B (0.54) KDM5BKDM2BKDM4CKDM5AKDM4A
SCHEMBL17621781 0.85 KDM5B (0.57) KDM5BKDM2BKDM4CKDM5AKDM4A
SCHEMBL17621693 0.85 KDM5B (0.56) KDM5BKDM2BKDM4CKDM5AKDM4A
SCHEMBL17621780 0.83 KDM5B (0.54) KDM5BKDM2BKDM4CKDM5AKDM4A
SCHEMBL17621698 0.82 KDM5B (0.53) KDM5BKDM2BKDM4CKDM5AKDM4A
SCHEMBL17891709 0.81 KDM5B (0.68) KDM5BKDM2BKDM4CKDM5AKDM4A
SCHEMBL17693166 0.79 KDM5B (0.54) KDM5BKDM2BKDM4CKDM5AKDM4A

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-2016044342-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2016-03-24 — — WO disclosed
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