SCHEMBL20353904

SCHEMBL20353904

NC(=O)C1CCCCC1C(O)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CCC2

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.53
▸ ANO1 Q5XXA6 6/20 0.52
▸ MAPT P10636 3/20 0.50
▸ FLT3 P36888 1/20 0.49
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ TNF P01375 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ NOD1 Q9Y239 1/20 0.45
▸ CFTR P13569 1/20 0.45
▸ CNR2 P34972 1/20 0.44

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
SCHEMBL20354011 0.90 TP53 (0.56) TP53ANO1MAPTFLT3RAB9A
SCHEMBL20339093 0.87 ANO1 (0.58) TP53ANO1MAPTFLT3RAB9A
SCHEMBL20353902 0.83 TP53 (0.56) TP53ANO1MAPTFLT3RXFP1
SCHEMBL20353844 0.83 ANO1 (0.54) TP53ANO1MAPTNPC1RAB9A
SCHEMBL20354020 0.81 TP53 (0.56) TP53ANO1MAPTFLT3RXFP1
SCHEMBL20353927 0.80 ANO1 (0.59) TP53ANO1MAPTRAB9ARXFP1
SCHEMBL20340253 0.80 ANO1 (0.59) TP53ANO1MAPTRAB9ARXFP1
SCHEMBL20353876 0.80 RAB9A (0.61) TP53ANO1MAPTRAB9ARXFP1
SCHEMBL20353928 0.80 ANO1 (0.59) TP53ANO1MAPTRAB9ARXFP1
SCHEMBL24426964 0.80 TP53 (0.51) TP53ANO1MAPTFLT3NPC1

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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