SCHEMBL13699216

SCHEMBL13699216

NS(=O)(=O)c1ccc(C(=O)NCCCCCNC(=O)c2cccc([SH](=O)=O)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 14/20 0.62
CA1 P00915 12/20 0.56
HDAC3 O15379 1/20 0.55
HDAC1 Q13547 1/20 0.55
KMT2A Q03164 3/20 0.53
KDM4E B2RXH2 1/20 0.53
CA9 Q16790 6/20 0.53
CA14 Q9ULX7 5/20 0.53
CA7 P43166 4/20 0.53
CA12 O43570 2/20 0.52
MEN1 O00255 2/20 0.51
RXFP1 Q9HBX9 1/20 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
SCHEMBL14553308 0.81 LMNA (0.52) HDAC3HDAC1
SCHEMBL31017650 0.78 CA2 (0.76) CA2CA1HDAC3HDAC1KMT2A
SCHEMBL14535273 0.77 SMN1; SMN2 (0.74) HDAC1RXFP1
SCHEMBL15906767 0.77 CA2 (1.00) CA2CA1HDAC3HDAC1KMT2A
SCHEMBL30583126 0.76 CA2 (0.74) CA2CA1HDAC3HDAC1KMT2A
SCHEMBL8269475 0.76 CA2 (0.72) CA2CA1HDAC3HDAC1KMT2A
SCHEMBL13699130 0.74 CA2 (0.66) CA2CA1HDAC3HDAC1KMT2A
SCHEMBL17038903 0.74 SMN1; SMN2 (0.49) HDAC1KMT2AMEN1
SCHEMBL13699124 0.73 CA2 (0.52) CA2CA1HDAC3HDAC1KMT2A
SCHEMBL30249740 0.73 CA2 (0.68) CA2CA1HDAC3HDAC1KMT2A

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-2009113704-A2 FLUORINE-CONTAINING COMPOUND AND METHOD FOR DETECTING BIOMOLECULE USING THE SAME KYOTO UNIVERSITY (JP) 2009-09-17 WO disclosed