SCHEMBL21653251

SCHEMBL21653251

CCc1cc(NC(=O)c2cc(Cl)c(Cl)s2)cn(CC)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.38
▸ DAO P14920 1/20 0.37
▸ MAPT P10636 4/20 0.36
▸ TP53 P04637 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ PDE10A Q9Y233 5/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ RAB9A P51151 1/20 0.33
▸ PTGER3 P43115 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ NCOA2 Q15596 1/20 0.33
▸ NCOA1 Q15788 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ NCOR2 Q9Y618 1/20 0.33
▸ NCOA3 Q9Y6Q9 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL21653145 0.92 GSK3B (0.35) GSK3BDAOMAPTTP53KDM4E
SCHEMBL21653120 0.90 GSK3B (0.39) GSK3BDAOMAPTTP53KDM4E
SCHEMBL21653084 0.88 MAPT (0.39) GSK3BDAOMAPTTP53KDM4E
SCHEMBL21653269 0.87 BRD4 (0.39) MAPTTP53KDM4EPDE10ASMN1; SMN2
SCHEMBL21653156 0.87 PDE10A (0.38) GSK3BDAOMAPTTP53KDM4E
SCHEMBL21653150 0.86 GSK3B (0.36) GSK3BDAOMAPTTP53KDM4E
SCHEMBL21653136 0.85 SMN1; SMN2 (0.47) MAPTTP53KDM4EALDH1A1PDE10A
SCHEMBL21653138 0.85 MAPT (0.39) GSK3BDAOMAPTTP53KDM4E
SCHEMBL21652873 0.85 GSK3B (0.35) GSK3BDAOMAPTTP53KDM4E
SCHEMBL21653276 0.84 L3MBTL1 (0.36) GSK3BDAOMAPTTP53KDM4E

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-2020023657-A1 PYRIDIN-2-ONE COMPOUNDS USEFUL AS SMARCA2 ANTAGONISTS Epizyme, Inc. (US) 2020-01-30 — — WO disclosed
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