SCHEMBL28208763

SCHEMBL28208763

C=C[C@H]1CCN(C(=O)c2cc(C(C)C)n[nH]2)C1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 18/20 0.43
▸ KDM5B Q9UGL1 4/20 0.40
▸ KDM5C P41229 2/20 0.39
▸ KDM4C Q9H3R0 1/20 0.39

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
SCHEMBL17672418 0.82 KDM5A (0.45) KDM5AKDM5BKDM5CKDM4C
Hydrochloric Acid SCHEMBL17672405 0.81 KDM5A (0.44) KDM5AKDM5BKDM5CKDM4C
SCHEMBL16812287 0.81 NPC1 (0.44) KDM5AKDM5B
SCHEMBL18161035 0.80 KDM5A (0.44) KDM5AKDM5BKDM5C
SCHEMBL17672375 0.79 KDM5A (0.57) KDM5AKDM5BKDM5CKDM4C
SCHEMBL17682468 0.79 KDM5A (0.65) KDM5AKDM5BKDM5CKDM4C
SCHEMBL19514003 0.78 KDM5A (0.66) KDM5AKDM5BKDM5CKDM4C
SCHEMBL28547729 0.78 KDM5A (0.44) KDM5AKDM5BKDM5CKDM4C
SCHEMBL17682486 0.77 KDM5A (0.67) KDM5AKDM5BKDM5CKDM4C
SCHEMBL19513972 0.77 KDM5A (0.72) KDM5AKDM5BKDM5CKDM4C

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
CN-107912040-A Pyrrolidine Amide Compounds As Histone Demethylase Inhibitors 基因泰克公司 2018-04-13 — — CN disclosed
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