SCHEMBL29452068

SCHEMBL29452068

O=C(Cn1ncc(Cl)c(Cl)c1=O)Nc1ccc2[nH]c(=O)cnc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.58
▸ PAX8 Q06710 5/20 0.58
▸ NPC1 O15118 5/20 0.58
▸ MITF O75030 4/20 0.58
▸ PRMT5 O14744 11/20 0.54
▸ WDR77 Q9BQA1 11/20 0.54
▸ L3MBTL1 Q9Y468 5/20 0.53
▸ ALDH1A1 P00352 5/20 0.53
▸ MAPT P10636 5/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ NPSR1 Q6W5P4 3/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ S1PR4 O95977 1/20 0.53
▸ S1PR1 P21453 1/20 0.53
▸ POLB P06746 4/20 0.52
▸ RECQL P46063 2/20 0.52
▸ MCL1 Q07820 2/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ RIOK1 Q9BRS2 1/20 0.52

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
SCHEMBL29451929 0.92 RAB9A (0.58) RAB9APAX8NPC1MITFPRMT5
SCHEMBL29452088 0.84 RAB9A (0.59) RAB9APAX8NPC1MITFPRMT5
SCHEMBL29451668 0.83 RAB9A (0.63) RAB9APAX8NPC1MITFPRMT5
SCHEMBL29452016 0.76 PRMT5 (0.57) RAB9APAX8NPC1MITFPRMT5
SCHEMBL29451608 0.76 RAB9A (0.76) RAB9APAX8NPC1MITFPRMT5
SCHEMBL29451409 0.74 PRMT5 (0.68) RAB9APAX8NPC1MITFPRMT5
SCHEMBL29451563 0.73 RAB9A (0.60) RAB9APAX8NPC1MITFPRMT5
SCHEMBL29451868 0.73 RAB9A (0.60) RAB9APAX8NPC1MITFPRMT5
SCHEMBL29451735 0.72 PRMT5 (0.80) RAB9APAX8NPC1MITFPRMT5
SCHEMBL29452248 0.68 ALDH1A1 (0.64) RAB9APAX8NPC1MITFPRMT5

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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