SCHEMBL12177305

SCHEMBL12177305

COc1ccc(-c2ccc(/C=C3\S/C(=N/c4ccc(C(=O)O)cc4)N(C)C3=O)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 1/20 0.66
▸ CA12 O43570 1/20 0.66
▸ CA1 P00915 1/20 0.66
▸ CA2 P00918 1/20 0.66
▸ CA9 Q16790 1/20 0.66
▸ PTPN2 P17706 4/20 0.63
▸ PTPN1 P18031 4/20 0.63
▸ ACP1 P24666 4/20 0.63
▸ ITGB3 P05106 1/20 0.61
▸ ITGAV P06756 1/20 0.61
▸ ALDH1A1 P00352 4/20 0.60
▸ FAAH O00519 1/20 0.59
▸ POLB P06746 2/20 0.58
▸ MAPT P10636 2/20 0.58
▸ TDP1 Q9NUW8 2/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ PKM P14618 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ PSMB8 P28062 1/20 0.57

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 0.91 PTPN2 (0.61) MGAMCA12CA1CA2CA9
SCHEMBL12177501 0.91 PTPN2 (0.61) MGAMCA12CA1CA2CA9
SCHEMBL12177682 0.89 CA9 (0.70) MGAMCA12CA1CA2CA9
SCHEMBL12177442 0.88 ALDH1A1 (0.62) MGAMCA12CA1CA2CA9
SCHEMBL12177530 0.86 ALDH1A1 (0.59) MGAMCA12CA1CA2CA9
SCHEMBL12177391 0.84 PTPN2 (0.57) MGAMCA12CA1CA2CA9
SCHEMBL31321765 0.82 PTPN1 (0.66) CA9PTPN2PTPN1ACP1ALDH1A1
SCHEMBL12177573 0.80 AURKA (0.60) MGAMCA12CA1CA2CA9
SCHEMBL12177369 0.80 LMNA (0.62) ALDH1A1POLBMAPTTDP1MEN1
SCHEMBL12177688 0.80 CA9 (0.57) MGAMCA12CA1CA2CA9

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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