SCHEMBL13481430

SCHEMBL13481430

O=C(O)c1cc(C=C=C=S)ccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 3/20 0.66
▸ L3MBTL1 Q9Y468 1/20 0.66
▸ MEN1 O00255 2/20 0.56
▸ POLB P06746 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ ALPL P05186 1/20 0.56
▸ ALPI P09923 1/20 0.56
▸ ALPG P10696 1/20 0.56
▸ CA9 Q16790 16/20 0.54
▸ CA1 P00915 14/20 0.54
▸ CA2 P00918 14/20 0.54
▸ ATM Q13315 1/20 0.53
▸ PLEC Q15149 1/20 0.53
▸ CA12 O43570 6/20 0.52
▸ DNASE1L3 Q13609 1/20 0.50
▸ PRMT1 Q99873 1/20 0.50
▸ CA14 Q9ULX7 2/20 0.49
▸ CA7 P43166 2/20 0.48

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
SCHEMBL14393164 0.86 USP2 (0.73) USP2L3MBTL1MEN1POLBKMT2A
SCHEMBL2755000 0.80 USP2 (0.68) USP2L3MBTL1MEN1POLBKMT2A
SCHEMBL1437042 0.80 USP2 (0.78) USP2L3MBTL1MEN1POLBKMT2A
SCHEMBL20254033 0.80 USP2 (0.77) USP2L3MBTL1MEN1POLBKMT2A
SCHEMBL10098714 0.79 USP2 (0.76) USP2L3MBTL1MEN1POLBKMT2A
SCHEMBL3481432 0.79 USP2 (1.00) USP2L3MBTL1MEN1POLBKMT2A
SCHEMBL30023431 0.79 USP2 (1.00) USP2L3MBTL1MEN1POLBKMT2A
SCHEMBL18239274 0.79 USP2 (0.76) USP2L3MBTL1MEN1POLBKMT2A
SCHEMBL29591827 0.79 USP2 (0.76) USP2L3MBTL1MEN1POLBKMT2A
SCHEMBL107875 0.79 USP2 (0.76) USP2L3MBTL1MEN1POLBKMT2A

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
US-7658917-B2 Modulators of amyloid aggregation PRAECIS PHARMACEUTICALS, INC. (US) 2010-02-09 — — US disclosed
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