SCHEMBL12177489

SCHEMBL12177489

Cc1ccc(/N=C2/S/C(=C\c3cccc(-c4cccc(C(=O)O)c4)c3)C(=O)N2C)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ POLB P06746 2/20 0.57
▸ MAPT P10636 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ TDP1 Q9NUW8 2/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ RECQL P46063 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ ITGB3 P05106 2/20 0.54
▸ ITGAV P06756 2/20 0.54
▸ PTP4A3 O75365 1/20 0.54
▸ PKM P14618 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ DUSP26 Q9BV47 2/20 0.52
▸ MGAM O43451 1/20 0.52
▸ CA12 O43570 1/20 0.52
▸ CA1 P00915 1/20 0.52

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
SCHEMBL12177580 0.90 MGAM (0.60) ALDH1A1MEN1MAPTKMT2ATDP1
SCHEMBL12177391 0.90 PTPN2 (0.57) ALDH1A1MEN1POLBMAPTKMT2A
SCHEMBL12177755 0.87 AURKA (0.60) ALDH1A1MEN1MAPTKMT2ATDP1
SCHEMBL12177369 0.86 LMNA (0.62) ALDH1A1MEN1POLBMAPTKMT2A
SCHEMBL12177783 0.84 MGAM (0.57) ALDH1A1MEN1MAPTKMT2ATDP1
SCHEMBL12177288 0.83 TDP1 (0.55) ALDH1A1POLBMAPTTDP1LMNA
SCHEMBL12177501 0.83 PTPN2 (0.61) ALDH1A1MEN1POLBMAPTKMT2A
SCHEMBL12177731 0.83 PTPN2 (0.61) ALDH1A1MEN1POLBMAPTKMT2A
SCHEMBL12177727 0.82 ALDH1A1 (0.59) ALDH1A1POLBMAPTTDP1LMNA
SCHEMBL12177724 0.82 ALDH1A1 (0.59) ALDH1A1POLBMAPTTDP1LMNA

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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