SCHEMBL28208753

SCHEMBL28208753

CC(C)c1cc(C(=O)N2C[CH]CC2)[nH]n1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 4/20 0.35
▸ ALPL P05186 8/20 0.34
▸ TACR3 P29371 2/20 0.34
▸ AKR1C3 P42330 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ KDM5B Q9UGL1 1/20 0.33
▸ TACR2 P21452 1/20 0.32
▸ TACR1 P25103 1/20 0.32
▸ NAMPT P43490 1/20 0.32

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
SCHEMBL13779967 0.80 ALPL (0.52) ALPL
SCHEMBL14925554 0.79 ALPL (0.51) ALPLTACR3KMT2A
SCHEMBL16812287 0.78 NPC1 (0.44) KDM5AMEN1KMT2AKDM5B
SCHEMBL18161035 0.77 KDM5A (0.44) KDM5AALPLKDM5B
SCHEMBL17672418 0.75 KDM5A (0.45) KDM5AKDM5B
SCHEMBL14484511 0.74 KDM5A (0.39) KDM5AMEN1KMT2AKDM5B
SCHEMBL16564670 0.74 CYP3A4 (0.40) ALPL
SCHEMBL15258531 0.74 KDM4E (0.51) TACR3MEN1KMT2A
Hydrochloric Acid SCHEMBL17672405 0.74 KDM5A (0.44) KDM5AKDM5B
SCHEMBL28208763 0.73 KDM5A (0.43) KDM5AKDM5B

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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