SCHEMBL29451279

SCHEMBL29451279

Cc1ccc(NC(=O)[C@@H](C)n2ncc(F)c(C)c2=O)cc1S(=O)(=O)NCCc1ccccn1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 17/20 0.78
▸ WDR77 Q9BQA1 17/20 0.78
▸ RIOK1 Q9BRS2 1/20 0.74
▸ RAB9A P51151 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42

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
SCHEMBL29452095 0.91 PRMT5 (0.88) PRMT5WDR77RIOK1RAB9A
SCHEMBL29451863 0.88 PRMT5 (0.83) PRMT5WDR77RIOK1RAB9AKDM4E
SCHEMBL29451378 0.88 PRMT5 (1.00) PRMT5WDR77RIOK1RAB9A
SCHEMBL29451555 0.88 PRMT5 (1.00) PRMT5WDR77RIOK1RAB9A
SCHEMBL29451523 0.88 PRMT5 (1.00) PRMT5WDR77RIOK1RAB9A
SCHEMBL29451723 0.86 PRMT5 (0.86) PRMT5WDR77RIOK1KDM4E
SCHEMBL29451462 0.86 PRMT5 (0.85) PRMT5WDR77RIOK1
SCHEMBL29451871 0.85 PRMT5 (1.00) PRMT5WDR77RIOK1RAB9A
SCHEMBL29452143 0.85 PRMT5 (1.00) PRMT5WDR77RIOK1RAB9A
SCHEMBL29451346 0.85 PRMT5 (0.84) PRMT5WDR77RIOK1RAB9A

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-2022032144-A1 SUBSTRATE ADAPTOR INHIBITORS OF PRMT5 AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2022-02-10 — — WO disclosed
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