SCHEMBL19101681

SCHEMBL19101681

CCc1ccccc1CNCCn1cnc(-c2cc(C(O)O)ccn2)c1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 13/20 0.44
▸ KDM5A P29375 10/20 0.44
▸ KDM5B Q9UGL1 10/20 0.44
▸ KDM4A O75164 5/20 0.44
▸ KDM2B Q8NHM5 3/20 0.39
▸ PHF8 Q9UPP1 2/20 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
SCHEMBL19101675 0.88 KDM4C (0.52) KDM4CKDM5AKDM5BKDM4AKDM2B
SCHEMBL19101736 0.87 KDM4A (0.53) KDM4CKDM4APHF8
SCHEMBL19101685 0.85 PHF8 (0.48) KDM4CKDM5AKDM5BKDM4AKDM2B
SCHEMBL16033534 0.83 KDM5A (0.65) KDM4CKDM5AKDM5BKDM4AKDM2B
SCHEMBL19101706 0.75 KDM5A (0.67) KDM4CKDM5AKDM5BKDM4AKDM2B
SCHEMBL16075704 0.74 KDM5A (0.76) KDM4CKDM5AKDM5BKDM4AKDM2B
SCHEMBL16033844 0.73 KDM4C (0.77) KDM4CKDM5AKDM5BKDM4AKDM2B
SCHEMBL16032896 0.72 KDM4C (0.77) KDM4CKDM5AKDM5BKDM4AKDM2B
SCHEMBL19139044 0.71 KDM2B (0.47) KDM4CKDM5AKDM5BKDM4AKDM2B
SCHEMBL16033753 0.70 KDM5A (0.60) KDM4CKDM5AKDM5BKDM4AKDM2B

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
US-9701657-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2017-07-11 — — US disclosed
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