SCHEMBL17772487

SCHEMBL17772487

C/N=C(/CCCN(C)C(=O)CNCc1cc(C(=O)O)ccn1)N(C)C

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 17/20 0.58
▸ KDM5C P41229 11/20 0.58
▸ KDM5A P29375 9/20 0.58
▸ KDM4A O75164 4/20 0.58
▸ KDM6B O15054 1/20 0.58
▸ KDM2B Q8NHM5 1/20 0.58
▸ KDM4C Q9H3R0 3/20 0.47
▸ KDM5D Q9BY66 1/20 0.47
▸ KDM4B O94953 2/20 0.36
▸ KDM4D Q6B0I6 1/20 0.32

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
SCHEMBL15636266 0.84 KDM5B (0.74) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL15636865 0.81 KDM5B (0.64) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL19676530 0.81 KDM5B (0.67) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL15638915 0.77 KDM5B (0.56) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL18708410 0.76 KDM5B (0.55) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL19676453 0.74 KDM5B (0.65) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL15636990 0.74 KDM5B (0.60) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL15636679 0.73 KDM5B (1.00) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL15639854 0.71 KDM5B (0.57) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL19676466 0.71 KDM5B (0.49) KDM5BKDM5CKDM5AKDM4AKDM6B

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-3023415-A1 INHIBITORS OF HISTONE DEMETHYLASES Epitherapeutics ApS (DK) 2016-05-25 — — EP disclosed
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