SCHEMBL20353902

SCHEMBL20353902

O=C(Nc1ccc(Cl)cc1)c1c(NC(=O)C2CCCCC2C(O)O)sc2c1CCC2

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.56
▸ ANO1 Q5XXA6 6/20 0.56
▸ MAPT P10636 3/20 0.53
▸ RXFP1 Q9HBX9 1/20 0.49
▸ THRB P10828 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ TNF P01375 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ NOD1 Q9Y239 1/20 0.48
▸ TLR2 O60603 1/20 0.48
▸ FLT3 P36888 1/20 0.47
▸ CNR2 P34972 1/20 0.47

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
SCHEMBL24426894 0.92 TP53 (0.51) TP53ANO1MAPTTHRBMEN1
SCHEMBL21577890 0.89 TP53 (0.48) TP53ANO1MAPTTHRB
SCHEMBL21577889 0.89 ANO1 (0.61) TP53ANO1MAPTTHRBTLR2
SCHEMBL24426870 0.89 MAPT (0.55) TP53ANO1MAPTTHRBMEN1
SCHEMBL20353928 0.87 ANO1 (0.59) TP53ANO1MAPTRXFP1THRB
SCHEMBL20340253 0.87 ANO1 (0.59) TP53ANO1MAPTRXFP1THRB
SCHEMBL20353927 0.87 ANO1 (0.59) TP53ANO1MAPTRXFP1THRB
SCHEMBL20353876 0.87 RAB9A (0.61) TP53ANO1MAPTRXFP1THRB
SCHEMBL20339093 0.86 ANO1 (0.58) TP53ANO1MAPTRXFP1THRB
SCHEMBL20353979 0.86 ANO1 (0.58) TP53ANO1MAPTRXFP1MEN1

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-2018122317-A1 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS ENYO PHARMA (FR) 2018-07-05 — — WO disclosed
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