SCHEMBL17772476

SCHEMBL17772476

C=CCN(CCC)C(=O)CNCc1cc(C(=O)O)ccn1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 15/20 0.69
▸ KDM5C P41229 10/20 0.68
▸ KDM5A P29375 8/20 0.68
▸ KDM4A O75164 3/20 0.68
▸ KDM6B O15054 1/20 0.68
▸ KDM2B Q8NHM5 1/20 0.68
▸ KDM4C Q9H3R0 3/20 0.55
▸ KDM5D Q9BY66 1/20 0.55
▸ KDM4B O94953 1/20 0.39
▸ HCAR3 P49019 2/20 0.36
▸ MAPT P10636 1/20 0.35

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
SCHEMBL18708428 0.92 KDM5B (0.72) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL15635961 0.92 KDM5B (0.65) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL18708603 0.84 KDM5B (0.55) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL15636679 0.81 KDM5B (1.00) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL15636266 0.79 KDM5B (0.74) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL15637033 0.77 KDM5B (0.77) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL19676530 0.75 KDM5B (0.67) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL19676491 0.75 KDM5B (0.67) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL19676453 0.75 KDM5B (0.65) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL18708312 0.75 KDM5B (0.80) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3150582-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. (US) 2017-04-05 — — EP disclosed
EP-3023415-A1 INHIBITORS OF HISTONE DEMETHYLASES Epitherapeutics ApS (DK) 2016-05-25 — — EP disclosed
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