SCHEMBL29409239

SCHEMBL29409239

CN(CCO)c1cc(NCCC(=O)O)nc(-c2ccccn2)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.66
HDAC6 Q9UBN7 9/20 0.60
KDM6A O15550 5/20 0.55
KDM5A P29375 3/20 0.55
KDM5C P41229 3/20 0.55
KDM5B Q9UGL1 3/20 0.55
KDM6B O15054 2/20 0.55
KDM4A O75164 2/20 0.55
KDM4B O94953 2/20 0.55
KDM2B Q8NHM5 2/20 0.55
KDM4C Q9H3R0 2/20 0.55
PHF8 Q9UPP1 2/20 0.55
KDM3A Q9Y4C1 2/20 0.55
KDM4E B2RXH2 1/20 0.55
CHRNA1 P02708 1/20 0.55
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
OPRM1 P35372 1/20 0.55
OPRK1 P41145 1/20 0.55
PDE4B Q07343 1/20 0.55

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
SCHEMBL18492973 1.00 HDAC1 (0.66) HDAC1HDAC6KDM6AKDM5AKDM5C
SCHEMBL18492980 0.88 HDAC1 (0.66) HDAC1HDAC6KDM6AKDM5AKDM5C
SCHEMBL2722008 0.85 HDAC1 (0.61) HDAC1HDAC6KDM6AKDM5AKDM5C
SCHEMBL18492972 0.84 KDM6A (0.64) HDAC1HDAC6KDM6AKDM5AKDM5C
SCHEMBL29409212 0.84 KDM6A (0.64) HDAC1HDAC6KDM6AKDM5AKDM5C
SCHEMBL18492977 0.80 KDM6A (0.62) HDAC1HDAC6KDM6AKDM5AKDM5C
SCHEMBL10158456 0.78 KDM6A (0.60) HDAC1HDAC6KDM6AKDM5AKDM5C
SCHEMBL25189604 0.78 KDM6A (0.62) HDAC1HDAC6KDM6AKDM5AKDM5C
SCHEMBL10157012 0.78 HDAC1 (0.58) HDAC1HDAC6KDM6AKDM5AKDM5C
SCHEMBL10157756 0.78 KDM6A (0.59) HDAC1HDAC6KDM6AKDM5AKDM5C

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-3962559-A1 METHODS AND COMPOSITIONS FOR TREATING CHRONIC INFLAMMATORY INJURY, METAPLASIA, DYSPLASIA AND CANCERS OF EPITHELIAL TISSUES University of Houston System (US) 2022-03-09 EP disclosed