SCHEMBL9232779

SCHEMBL9232779

O=C(C(=O)c1ccccc1SCc1ccc(Cl)c(Cl)c1)c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTPRG P23470 9/20 0.76
▸ PTPRC P08575 7/20 0.53
▸ MAPT P10636 1/20 0.51
▸ PTPN1 P18031 1/20 0.46
▸ AR P10275 1/20 0.45
▸ MRGPRX4 Q96LA9 1/20 0.45
▸ PTGDR2 Q9Y5Y4 1/20 0.44
▸ HTT P42858 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ GFER P55789 1/20 0.44
▸ PDPK1 O15530 1/20 0.43
▸ KMT2A Q03164 4/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ RECQL P46063 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ RAB9A P51151 1/20 0.40

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
SCHEMBL2200062 0.81 CES2 (0.51) PTPRGPTPRCHTTKMT2AL3MBTL1
SCHEMBL11227010 0.72 PTPRG (0.61) PTPRGPTPRCMAPTPTPN1KMT2A
SCHEMBL11380082 0.70 PTPRG (0.58) PTPRGPTPRCMAPTPTGDR2KMT2A
SCHEMBL13802463 0.70 PTPRG (0.70) PTPRGPTPRCARMRGPRX4PTGDR2
SCHEMBL16390244 0.69 POLB (0.63) RAB9A
SCHEMBL2387804 0.69 CES2 (0.58) TDP1RAB9A
SCHEMBL28814684 0.69 CES2 (0.63) RAB9A
SCHEMBL9716018 0.68 PTPRG (0.68) PTPRGPTPRCGAAKMT2AL3MBTL1
SCHEMBL2225523 0.68 CES2 (0.78) GAAL3MBTL1RAB9A
SCHEMBL29468149 0.68 CES2 (0.78) GAAL3MBTL1RAB9A

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-1996040645-A1 2-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF SMOOTH MUSCLE CELL PROLIFERATION AMERICAN HOME PRODUCTS CORPORATION (US) 1996-12-19 — — WO claimed
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