SCHEMBL13027061

SCHEMBL13027061

NC(Cc1cc(=O)[nH]c2cc(NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)ccc12)OP(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 20/20 0.42
▸ CA2 P00918 20/20 0.42
▸ CA4 P22748 7/20 0.42
▸ CA12 O43570 4/20 0.42
▸ CA9 Q16790 4/20 0.42

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
SCHEMBL12983642 0.83 CA1 (0.42) CA1CA2CA4CA12CA9
SCHEMBL17365333 0.81 CA1 (0.52) CA1CA2CA4CA12CA9
SCHEMBL15161172 0.78 CA1 (0.48) CA1CA2CA4CA12CA9
SCHEMBL14367687 0.77 TERT (0.48) CA1CA2CA4CA12CA9
SCHEMBL15159293 0.75 CA1 (0.45) CA1CA2CA4CA12CA9
SCHEMBL13273544 0.74 CA1 (0.46) CA1CA2CA4CA12CA9
SCHEMBL15159292 0.72 CA1 (0.42) CA1CA2CA4CA12CA9
SCHEMBL12984045 0.72 LMNA (0.32) CA1CA2CA4CA12CA9
SCHEMBL12984359 0.70 LMNA (0.31) CA1CA2CA4CA12CA9
SCHEMBL23130692 0.67 TERT (0.43) CA1CA12CA9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100304404-A1 MOLECULAR MODIFICATION ASSAYS MOLECULAR DEVICES, LLC 2010-12-02 — — US disclosed
US-7632651-B2 Molecular modification assays MDS ANALYTICAL TECHNOLOGIES (US) INC. (US) 2009-12-15 — — US disclosed
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