SCHEMBL9784606

SCHEMBL9784606

NS(=O)(=O)OCCCCOc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.61
CA1 P00915 11/20 0.58
CA2 P00918 11/20 0.58
CA9 Q16790 10/20 0.58
CA12 O43570 2/20 0.56
CA3 P07451 2/20 0.56
CA4 P22748 2/20 0.56
CA6 P23280 2/20 0.56
CA5A P35218 2/20 0.56
CA7 P43166 2/20 0.56
CA14 Q9ULX7 2/20 0.56
CA5B Q9Y2D0 2/20 0.56
TAAR1 Q96RJ0 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50

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
SCHEMBL9451478 0.96 CA1 (0.56) KCNA3CA1CA2CA9CA12
SCHEMBL9451235 0.90 CA1 (0.58) KCNA3CA1CA2CA9TAAR1
SCHEMBL24133238 0.81 KCNA3 (0.61) KCNA3CA1CA2CA9CA12
SCHEMBL9451261 0.79 CA2 (0.59) CA1CA2CA9CA12CA3
SCHEMBL9451363 0.79 CA2 (0.76) CA1CA2CA9CA12CA3
SCHEMBL6230016 0.79 KCNA3 (0.59) KCNA3HDAC3HDAC4HDAC1HDAC7
SCHEMBL9861510 0.79 KCNA3 (0.59) KCNA3TAAR1HDAC3HDAC4HDAC1
SCHEMBL3085704 0.78 KCNA3 (0.58) KCNA3CA1CA2CA9CA12
SCHEMBL1490164 0.78 KCNA3 (1.00) KCNA3TAAR1HDAC3HDAC4HDAC1
SCHEMBL9861153 0.78 KCNA3 (0.57) KCNA3HDAC3HDAC4HDAC1HDAC7

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-5025031-A Aryl and aryloxyalkyl sulfamate esters useful as anticonvulsants A. H. ROBINS CO., INC. (US) 1991-06-18 US disclosed