SCHEMBL21716661

SCHEMBL21716661

CCN(CCN(C)C)C(=O)CNCc1cc(C(=O)Oc2cc(CN(C)CCN(CC)C(=O)CNCc3cc(C(=O)Oc4c(OC)cccc4OI)ccn3)ccc2OC)ccn1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 14/20 0.56
▸ KDM5C P41229 8/20 0.56
▸ KDM5A P29375 7/20 0.56
▸ KDM4C Q9H3R0 2/20 0.55
▸ KDM5D Q9BY66 1/20 0.53
▸ KDM4A O75164 2/20 0.51
▸ KDM6B O15054 1/20 0.51
▸ KDM2B Q8NHM5 1/20 0.51
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ BCHE P06276 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ CHEK1 O14757 1/20 0.35
▸ OPRK1 P41145 1/20 0.34

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
SCHEMBL26862784 0.87 KDM5B (0.71) KDM5BKDM5CKDM5AKDM4CKDM5D
SCHEMBL26862785 0.83 KDM5B (0.72) KDM5BKDM5CKDM5AKDM4CKDM5D
SCHEMBL16291539 0.79 KDM5B (0.77) KDM5BKDM5CKDM5AKDM4CKDM5D
SCHEMBL21716677 0.78 KDM5B (0.74) KDM5BKDM5CKDM5AKDM4CKDM5D
SCHEMBL21716676 0.76 KDM5B (0.72) KDM5BKDM5CKDM5AKDM4CKDM5D
SCHEMBL15637682 0.76 KDM5B (0.86) KDM5BKDM5CKDM5AKDM4CKDM5D
SCHEMBL15635919 0.75 KDM5B (0.75) KDM5BKDM5CKDM5AKDM4CKDM5D
SCHEMBL21716662 0.75 KDM5B (0.84) KDM5BKDM5CKDM5AKDM4CKDM5D
SCHEMBL16291781 0.75 KDM5B (0.78) KDM5BKDM5CKDM5AKDM4CKDM5D
SCHEMBL21716665 0.75 KDM5B (0.68) KDM5BKDM5CKDM5AKDM4CKDM5D

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
WO-2020033377-A1 HISTONE DEMETHYLASE 5 INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-02-13 — — WO disclosed
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