SCHEMBL20042003

SCHEMBL20042003

O=CCNCc1cc(/C=N/CCCO)ccn1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KDM4A O75164 2/20 0.33
▸ KDM4B O94953 2/20 0.33
▸ KDM5C P41229 2/20 0.33
▸ KDM5B Q9UGL1 2/20 0.33
▸ LMNA P02545 1/20 0.31

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
SCHEMBL18880294 0.78 KDM5B (0.33) KDM4AKDM4BKDM5CKDM5BLMNA
SCHEMBL16303330 0.78 CHRM2 (0.35) KDM4AKDM5CKDM5B
SCHEMBL16292703 0.78 CHRM2 (0.35) KDM4AKDM5CKDM5B
SCHEMBL16293836 0.77 KDM5B (0.37) KDM4AKDM4BKDM5CKDM5BLMNA
SCHEMBL16293837 0.77 KDM5B (0.37) KDM4AKDM4BKDM5CKDM5BLMNA
SCHEMBL15994272 0.76 KDM5B (0.60) KDM4AKDM5CKDM5B
SCHEMBL16305526 0.76 KDM5B (0.60) KDM4AKDM5CKDM5B
SCHEMBL16305531 0.74 TERT (0.39) KDM4AKDM5CKDM5BLMNA
SCHEMBL16293473 0.74 TERT (0.39) KDM4AKDM5CKDM5BLMNA
SCHEMBL16292658 0.73 KDM5B (0.40) KDM4AKDM4BKDM5CKDM5B

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-2961736-B1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES INC (US) 2018-04-11 — — EP disclosed
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