SCHEMBL12177442

SCHEMBL12177442

COc1ccc(-c2csc(/C=C3\S/C(=N/c4ccc(C(=O)O)cc4)N(C)C3=O)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.62
▸ POLB P06746 3/20 0.55
▸ MAPT P10636 3/20 0.55
▸ TDP1 Q9NUW8 3/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ GAA P10253 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ PKM P14618 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ PSMB8 P28062 1/20 0.54
▸ ITGB3 P05106 2/20 0.53
▸ ITGAV P06756 2/20 0.53
▸ MGAM O43451 1/20 0.52
▸ CA12 O43570 1/20 0.52
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ CA9 Q16790 1/20 0.52
▸ PTPN2 P17706 5/20 0.51

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
SCHEMBL12177449 0.90 ALDH1A1 (0.61) ALDH1A1POLBMAPTTDP1L3MBTL1
SCHEMBL12177542 0.89 ALDH1A1 (0.64) ALDH1A1POLBMAPTTDP1L3MBTL1
SCHEMBL12177123 0.89 ALDH1A1 (0.64) ALDH1A1POLBMAPTTDP1L3MBTL1
SCHEMBL12177305 0.88 MGAM (0.66) ALDH1A1POLBMAPTTDP1L3MBTL1
SCHEMBL12177501 0.85 PTPN2 (0.61) ALDH1A1POLBMAPTTDP1L3MBTL1
SCHEMBL12177731 0.85 PTPN2 (0.61) ALDH1A1POLBMAPTTDP1L3MBTL1
SCHEMBL12177530 0.85 ALDH1A1 (0.59) ALDH1A1POLBMAPTTDP1L3MBTL1
SCHEMBL12177516 0.83 ALDH1A1 (0.57) ALDH1A1POLBMAPTTDP1L3MBTL1
SCHEMBL12177483 0.80 TDP1 (0.51) ALDH1A1POLBMAPTTDP1L3MBTL1
SCHEMBL12177391 0.79 PTPN2 (0.57) ALDH1A1POLBMAPTTDP1L3MBTL1

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-2011135303-A2 UBIQUITINATION MODULATORS ITI SCOTLAND LIMITED (GB) 2011-11-03 — — WO disclosed
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