SCHEMBL29451764

SCHEMBL29451764

Cc1ccc(NC(=O)[C@H](C)n2ncc(Cl)cc2=O)cc1S(=O)(=O)N[C@H](Cc1ccccn1)C(F)(F)F

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 10/20 0.74
▸ WDR77 Q9BQA1 10/20 0.74
▸ RIOK1 Q9BRS2 1/20 0.74
▸ KMT2A Q03164 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ F11 P03951 3/20 0.38
▸ IDH1 O75874 1/20 0.38
▸ KLKB1 P03952 1/20 0.37

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
SCHEMBL29452035 1.00 PRMT5 (0.74) PRMT5WDR77RIOK1KMT2AKDM4E
SCHEMBL29451741 1.00 PRMT5 (0.74) PRMT5WDR77RIOK1KMT2AKDM4E
SCHEMBL29452048 1.00 PRMT5 (0.74) PRMT5WDR77RIOK1KMT2AKDM4E
SCHEMBL29451909 0.89 PRMT5 (0.74) PRMT5WDR77RIOK1KMT2AKDM4E
SCHEMBL29451405 0.89 PRMT5 (0.74) PRMT5WDR77RIOK1KMT2AKDM4E
SCHEMBL29451681 0.89 PRMT5 (0.74) PRMT5WDR77RIOK1KMT2AKDM4E
SCHEMBL29451675 0.89 PRMT5 (0.74) PRMT5WDR77RIOK1KMT2AKDM4E
SCHEMBL29451345 0.86 PRMT5 (0.72) PRMT5WDR77RIOK1KMT2AKDM4E
SCHEMBL29451906 0.86 PRMT5 (0.72) PRMT5WDR77RIOK1KMT2AKDM4E
SCHEMBL29452143 0.85 PRMT5 (1.00) PRMT5WDR77RIOK1

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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