SCHEMBL29451757

SCHEMBL29451757

COC(=O)C1CCCN(S(=O)(=O)c2cc(NC(=O)Cn3ncc(Cl)c(Cl)c3=O)ccc2C)C1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 9/20 0.76
▸ WDR77 Q9BQA1 9/20 0.76
▸ RAB9A P51151 5/20 0.76
▸ L3MBTL1 Q9Y468 5/20 0.76
▸ PAX8 Q06710 5/20 0.76
▸ MITF O75030 4/20 0.76
▸ NPC1 O15118 3/20 0.76
▸ RIOK1 Q9BRS2 1/20 0.76
▸ ALDH1A1 P00352 4/20 0.60
▸ MAPT P10636 3/20 0.60
▸ KMT2A Q03164 3/20 0.60
▸ POLB P06746 2/20 0.60
▸ RECQL P46063 2/20 0.60
▸ MCL1 Q07820 2/20 0.60
▸ HTT P42858 2/20 0.60
▸ MEN1 O00255 2/20 0.60
▸ LMNA P02545 1/20 0.60
▸ NPSR1 Q6W5P4 2/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ S1PR4 O95977 1/20 0.48

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
SCHEMBL29452193 0.94 PRMT5 (0.66) PRMT5WDR77RAB9AL3MBTL1PAX8
SCHEMBL29452399 0.92 PRMT5 (0.79) PRMT5WDR77RAB9AL3MBTL1PAX8
SCHEMBL29451733 0.92 PRMT5 (0.77) PRMT5WDR77RAB9AL3MBTL1PAX8
SCHEMBL29451880 0.91 PRMT5 (0.77) PRMT5WDR77RAB9AL3MBTL1PAX8
SCHEMBL29452130 0.89 PRMT5 (0.73) PRMT5WDR77RAB9AL3MBTL1PAX8
SCHEMBL29451927 0.88 PRMT5 (0.79) PRMT5WDR77RAB9AL3MBTL1PAX8
SCHEMBL29451944 0.87 PRMT5 (1.00) PRMT5WDR77RAB9AL3MBTL1PAX8
SCHEMBL29451861 0.86 PRMT5 (0.75) PRMT5WDR77RAB9AL3MBTL1PAX8
SCHEMBL29452160 0.85 PRMT5 (0.75) PRMT5WDR77RAB9AL3MBTL1PAX8
SCHEMBL29451268 0.85 PRMT5 (0.70) PRMT5WDR77RAB9AL3MBTL1PAX8

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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