SCHEMBL29451563

SCHEMBL29451563

O=C(Cn1ncc(Cl)c(Cl)c1=O)Nc1ccc2c(c1)CCC(=O)N2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 10/20 0.60
▸ PAX8 Q06710 7/20 0.60
▸ NPC1 O15118 6/20 0.60
▸ MITF O75030 5/20 0.60
▸ PRMT5 O14744 9/20 0.55
▸ WDR77 Q9BQA1 9/20 0.55
▸ L3MBTL1 Q9Y468 5/20 0.54
▸ RIOK1 Q9BRS2 1/20 0.54
▸ ALDH1A1 P00352 7/20 0.52
▸ MAPT P10636 5/20 0.52
▸ NPSR1 Q6W5P4 4/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ S1PR4 O95977 2/20 0.52
▸ S1PR1 P21453 2/20 0.52
▸ HDAC3 O15379 1/20 0.52
▸ HDAC4 P56524 1/20 0.52
▸ HDAC1 Q13547 1/20 0.52
▸ HDAC2 Q92769 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
SCHEMBL29451868 0.92 RAB9A (0.60) RAB9APAX8NPC1MITFPRMT5
SCHEMBL29452079 0.84 RAB9A (0.60) RAB9APAX8NPC1MITFPRMT5
SCHEMBL29451950 0.82 RAB9A (0.69) RAB9APAX8NPC1MITFPRMT5
SCHEMBL29452011 0.80 RAB9A (0.69) RAB9APAX8NPC1MITFPRMT5
SCHEMBL29451668 0.76 RAB9A (0.63) RAB9APAX8NPC1MITFPRMT5
SCHEMBL29451308 0.76 RAB9A (0.57) RAB9APAX8NPC1MITFPRMT5
SCHEMBL29451608 0.75 RAB9A (0.76) RAB9APAX8NPC1MITFPRMT5
SCHEMBL29451409 0.74 PRMT5 (0.68) RAB9APAX8NPC1MITFPRMT5
SCHEMBL29452088 0.73 RAB9A (0.59) RAB9APAX8NPC1MITFPRMT5
SCHEMBL29451943 0.73 RAB9A (0.53) 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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