SCHEMBL20978802

SCHEMBL20978802

CCc1ccccc1CNCCN1C=C(c2cc(C(=O)O)ccn2)NC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 14/20 0.41
▸ KDM5A P29375 10/20 0.41
▸ KDM5B Q9UGL1 10/20 0.41
▸ KDM4A O75164 6/20 0.41
▸ KDM4E B2RXH2 3/20 0.39
▸ KDM5C P41229 3/20 0.39
▸ KDM6B O15054 2/20 0.39
▸ KDM2A Q9Y2K7 2/20 0.39
▸ KDM3A Q9Y4C1 2/20 0.39
▸ JMJD6 Q6NYC1 1/20 0.38
▸ KDM2B Q8NHM5 2/20 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
SCHEMBL20979029 0.90 KDM4C (0.50) KDM4CKDM5AKDM5BKDM4AKDM4E
SCHEMBL20978848 0.89 KDM4C (0.52) KDM4CKDM5AKDM5BKDM4AKDM4E
SCHEMBL20978930 0.87 EPHX2 (0.41) KDM4CKDM5AKDM5BKDM4AKDM4E
SCHEMBL16033534 0.78 KDM5A (0.65) KDM4CKDM5AKDM5BKDM4AKDM2B
SCHEMBL20978805 0.77 KDM5B (0.59) KDM4CKDM5AKDM5BKDM4AKDM4E
SCHEMBL20978918 0.77 KDM5B (0.54) KDM4CKDM5AKDM5BKDM4AKDM4E
SCHEMBL20978859 0.76 KDM2B (0.44) KDM4CKDM5AKDM5BKDM4AKDM4E
SCHEMBL20979006 0.73 JMJD6 (0.54) KDM4CKDM5AKDM5BKDM4AKDM4E
SCHEMBL16095770 0.73 KDM5B (0.45) KDM4CKDM5AKDM5BKDM4AKDM4E
SCHEMBL20978807 0.72 KDM5B (0.62) KDM4CKDM5AKDM5BKDM4AKDM4E

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
EP-2969007-B1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2019-05-08 — — EP disclosed
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