SCHEMBL29451813

SCHEMBL29451813

Cc1ccc(NC(=O)C(C)n2ncc(Cl)c(Cl)c2=O)cc1S(=O)(=O)NC(Cc1ccccc1)C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 13/20 0.62
▸ WDR77 Q9BQA1 13/20 0.62
▸ RIOK1 Q9BRS2 2/20 0.48
▸ MAPT P10636 3/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ PAX8 Q06710 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ MITF O75030 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ MCL1 Q07820 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ IDH1 O75874 3/20 0.38

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
SCHEMBL29451675 0.90 PRMT5 (0.74) PRMT5WDR77RIOK1KMT2A
SCHEMBL29451909 0.90 PRMT5 (0.74) PRMT5WDR77RIOK1KMT2A
SCHEMBL29451681 0.90 PRMT5 (0.74) PRMT5WDR77RIOK1KMT2A
SCHEMBL29451405 0.90 PRMT5 (0.74) PRMT5WDR77RIOK1KMT2A
SCHEMBL29451376 0.88 PRMT5 (0.63) PRMT5WDR77RIOK1MAPTRAB9A
SCHEMBL29452080 0.88 PRMT5 (0.63) PRMT5WDR77RIOK1MAPTRAB9A
SCHEMBL29451894 0.88 PRMT5 (0.63) PRMT5WDR77RIOK1MAPTRAB9A
SCHEMBL29451819 0.85 PRMT5 (0.63) PRMT5WDR77RIOK1MAPTRAB9A
SCHEMBL29451578 0.84 PRMT5 (0.80) PRMT5WDR77RIOK1MAPTRAB9A
SCHEMBL29452203 0.84 PRMT5 (0.80) PRMT5WDR77RIOK1MAPTRAB9A

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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