SCHEMBL12177501

SCHEMBL12177501

COc1ccc(/N=C2/S/C(=C\c3cccc(-c4ccc(C(=O)O)cc4)c3)C(=O)N2C)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN2 P17706 5/20 0.61
▸ PTPN1 P18031 5/20 0.61
▸ ACP1 P24666 5/20 0.61
▸ ITGB3 P05106 1/20 0.58
▸ ITGAV P06756 1/20 0.58
▸ ALDH1A1 P00352 3/20 0.57
▸ MGAM O43451 1/20 0.55
▸ CA12 O43570 1/20 0.55
▸ CA1 P00915 1/20 0.55
▸ CA2 P00918 1/20 0.55
▸ CA9 Q16790 1/20 0.55
▸ PSMB8 P28062 1/20 0.54
▸ POLB P06746 2/20 0.53
▸ MAPT P10636 2/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ GAA P10253 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ PKM P14618 1/20 0.53

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
SCHEMBL12177731 1.00 PTPN2 (0.61) PTPN2PTPN1ACP1ITGB3ITGAV
SCHEMBL12177391 0.94 PTPN2 (0.57) PTPN2PTPN1ACP1ITGB3ITGAV
SCHEMBL12177688 0.91 CA9 (0.57) PTPN2PTPN1ACP1ALDH1A1MGAM
SCHEMBL12177305 0.91 MGAM (0.66) PTPN2PTPN1ACP1ITGB3ITGAV
SCHEMBL12177724 0.89 ALDH1A1 (0.59) PTPN2PTPN1ACP1ALDH1A1MGAM
SCHEMBL12177727 0.89 ALDH1A1 (0.59) PTPN2PTPN1ACP1ALDH1A1MGAM
SCHEMBL12177732 0.88 MGAM (0.57) PTPN2PTPN1ACP1ALDH1A1MGAM
SCHEMBL12177552 0.88 MGAM (0.57) PTPN2PTPN1ACP1ALDH1A1MGAM
SCHEMBL12177373 0.88 MGAM (0.61) PTPN2PTPN1ACP1ALDH1A1MGAM
SCHEMBL12177442 0.85 ALDH1A1 (0.62) PTPN2PTPN1ACP1ITGB3ITGAV

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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