SCHEMBL21473967

SCHEMBL21473967

O=NC(=O)CCNc1cc(N2CCc3ccccc3CC2)nc(-c2ccccn2)n1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM6B O15054 6/20 0.82
KDM6A O15550 5/20 0.82
KDM5B Q9UGL1 4/20 0.82
KDM2B Q8NHM5 4/20 0.82
KDM5C P41229 3/20 0.82
KDM4C Q9H3R0 3/20 0.82
PHF8 Q9UPP1 3/20 0.82
KDM5A P29375 3/20 0.82
KDM4A O75164 2/20 0.82
KDM4B O94953 2/20 0.82
KDM3A Q9Y4C1 2/20 0.82
CHRNA1 P02708 2/20 0.82
MAOB P27338 2/20 0.82
OPRM1 P35372 2/20 0.82
OPRK1 P41145 2/20 0.82
PDE4B Q07343 2/20 0.82
SCN5A Q14524 2/20 0.82
KDM4E B2RXH2 1/20 0.82
MAOA P21397 1/20 0.82
KCNH2 Q12809 1/20 0.82

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
SCHEMBL10157115 0.90 KDM6B (1.00) KDM6BKDM6AKDM5BKDM2BKDM5C
SCHEMBL29353127 0.90 KDM6B (1.00) KDM6BKDM6AKDM5BKDM2BKDM5C
SCHEMBL29371558 0.90 KDM6B (1.00) KDM6BKDM6AKDM5BKDM2BKDM5C
SCHEMBL17899150 0.89 KDM6B (0.84) KDM6BKDM6AKDM5BKDM2BKDM5C
SCHEMBL25183825 0.89 HDAC1 (0.89) KDM6BKDM6AKDM5BKDM2BKDM5C
SCHEMBL18159121 0.88 KDM6B (0.85) KDM6BKDM6AKDM5BKDM2BKDM5C
SCHEMBL25507239 0.87 KDM6A (0.79) KDM6BKDM6AKDM5BKDM2BKDM5C
SCHEMBL25507258 0.86 KDM6A (0.78) KDM6BKDM6AKDM5BKDM2BKDM5C
SCHEMBL29409168 0.85 KDM6B (1.00) KDM6BKDM6AKDM5BKDM2BKDM5C
SCHEMBL29373519 0.85 KDM6B (1.00) KDM6BKDM6AKDM5BKDM2BKDM5C

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-2019200224-A1 SYNERGISTIC DRUG COMBINATIONS PREDICTED FROM GENOMIC FEATURES AND SINGLE-AGENT RESPONSE PROFILES THE BROAD INSTITUTE, INC. (US) 2019-10-17 WO disclosed