SCHEMBL29451861

SCHEMBL29451861

COC(=O)C1CN(S(=O)(=O)c2cc(NC(=O)Cn3ncc(Cl)c(Cl)c3=O)ccc2C)CCN1C

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 12/20 0.75
▸ WDR77 Q9BQA1 12/20 0.75
▸ RAB9A P51151 5/20 0.71
▸ PAX8 Q06710 5/20 0.71
▸ L3MBTL1 Q9Y468 4/20 0.71
▸ MITF O75030 4/20 0.71
▸ NPC1 O15118 3/20 0.71
▸ RIOK1 Q9BRS2 1/20 0.71
▸ 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
▸ MEN1 O00255 2/20 0.60
▸ HTT P42858 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
SCHEMBL29451880 0.86 PRMT5 (0.77) PRMT5WDR77RAB9APAX8L3MBTL1
SCHEMBL29451757 0.86 PRMT5 (0.76) PRMT5WDR77RAB9APAX8L3MBTL1
SCHEMBL29452309 0.86 PRMT5 (1.00) PRMT5WDR77RAB9APAX8L3MBTL1
SCHEMBL29451268 0.85 PRMT5 (0.70) PRMT5WDR77RAB9APAX8L3MBTL1
SCHEMBL29451944 0.83 PRMT5 (1.00) PRMT5WDR77RAB9APAX8L3MBTL1
SCHEMBL29451632 0.83 PRMT5 (1.00) PRMT5WDR77RAB9APAX8L3MBTL1
SCHEMBL29452157 0.83 PRMT5 (0.83) PRMT5WDR77RAB9APAX8L3MBTL1
SCHEMBL29451318 0.83 PRMT5 (0.75) PRMT5WDR77RAB9APAX8L3MBTL1
SCHEMBL29451553 0.82 PRMT5 (0.82) PRMT5WDR77RAB9APAX8L3MBTL1
SCHEMBL29451870 0.82 PRMT5 (0.80) PRMT5WDR77RAB9APAX8L3MBTL1

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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