SCHEMBL29451722

SCHEMBL29451722

CC[C@H](C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1)n1ncc(Cl)c(Cl)c1=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 6/20 0.67
▸ WDR77 Q9BQA1 6/20 0.67
▸ MITF O75030 3/20 0.67
▸ PAX8 Q06710 3/20 0.67
▸ L3MBTL1 Q9Y468 3/20 0.67
▸ RAB9A P51151 2/20 0.67
▸ NPC1 O15118 1/20 0.67
▸ RIOK1 Q9BRS2 1/20 0.67
▸ ALDH1A1 P00352 3/20 0.56
▸ HTT P42858 2/20 0.56
▸ MAPT P10636 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ ALOX12 P18054 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ ATAD2 Q6PL18 1/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ RECQL P46063 1/20 0.49

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
SCHEMBL29452003 1.00 PRMT5 (0.67) PRMT5WDR77MITFPAX8L3MBTL1
SCHEMBL29451763 1.00 PRMT5 (0.67) PRMT5WDR77MITFPAX8L3MBTL1
SCHEMBL29451807 0.88 PRMT5 (0.67) PRMT5WDR77MITFPAX8L3MBTL1
SCHEMBL29451630 0.86 PRMT5 (0.70) PRMT5WDR77MITFPAX8L3MBTL1
SCHEMBL29452118 0.85 PRMT5 (0.68) PRMT5WDR77MITFPAX8L3MBTL1
SCHEMBL29451765 0.85 PRMT5 (0.68) PRMT5WDR77MITFPAX8L3MBTL1
SCHEMBL29451922 0.85 PRMT5 (0.68) PRMT5WDR77MITFPAX8L3MBTL1
SCHEMBL29451876 0.84 PRMT5 (0.67) PRMT5WDR77MITFPAX8L3MBTL1
SCHEMBL29451644 0.84 PRMT5 (0.67) PRMT5WDR77MITFPAX8L3MBTL1
SCHEMBL29452171 0.82 PRMT5 (0.71) PRMT5WDR77MITFPAX8L3MBTL1

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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