SCHEMBL29409207

SCHEMBL29409207

O=C(O)CCNc1cc(C(F)(F)F)nc(-c2ccccn2)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.64
KMT2A Q03164 1/20 0.62
KDM4E B2RXH2 2/20 0.61
KDM6A O15550 3/20 0.59
KDM5A P29375 3/20 0.59
KDM6B O15054 1/20 0.59
KDM4A O75164 1/20 0.59
KDM4B O94953 1/20 0.59
CHRNA1 P02708 1/20 0.59
MAOA P21397 1/20 0.59
MAOB P27338 1/20 0.59
OPRM1 P35372 1/20 0.59
OPRK1 P41145 1/20 0.59
KDM5C P41229 1/20 0.59
PDE4B Q07343 1/20 0.59
KCNH2 Q12809 1/20 0.59
SCN5A Q14524 1/20 0.59
EZH2 Q15910 1/20 0.59
KDM4D Q6B0I6 1/20 0.59
KDM2B Q8NHM5 1/20 0.59

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
SCHEMBL10157580 1.00 ALDH1A1 (0.64) ALDH1A1KMT2AKDM4EKDM6AKDM5A
SCHEMBL29374054 0.89 KDM6A (0.59) ALDH1A1KMT2AKDM4EKDM6AKDM5A
SCHEMBL10157756 0.89 KDM6A (0.59) ALDH1A1KMT2AKDM4EKDM6AKDM5A
SCHEMBL29409212 0.83 KDM6A (0.64) KDM4EKDM6AKDM5AKDM6BKDM4A
SCHEMBL18492972 0.83 KDM6A (0.64) KDM4EKDM6AKDM5AKDM6BKDM4A
SCHEMBL25189604 0.82 KDM6A (0.62) KDM4EKDM6AKDM5AKDM6BKDM4A
SCHEMBL18492977 0.82 KDM6A (0.62) KDM4EKDM6AKDM5AKDM6BKDM4A
SCHEMBL14931768 0.81 KDM6A (0.61) KMT2AKDM4EKDM6AKDM5AKDM6B
SCHEMBL10158456 0.81 KDM6A (0.60) KDM4EKDM6AKDM5AKDM6BKDM4A
SCHEMBL18492980 0.80 HDAC1 (0.66) KMT2AKDM4EKDM6AKDM5AKDM6B

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