SCHEMBL1114110

SCHEMBL1114110

NS(=O)(=O)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1NC1CCNC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.36
CA4 P22748 6/20 0.36
CA12 O43570 4/20 0.36
CA1 P00915 4/20 0.36
CA6 P23280 4/20 0.36
CA7 P43166 4/20 0.36
CA9 Q16790 4/20 0.36
CA13 Q8N1Q1 4/20 0.36
CA14 Q9ULX7 4/20 0.36
CA5B Q9Y2D0 4/20 0.36
CA5A P35218 3/20 0.36
KCNH2 Q12809 1/20 0.35
PDE7A Q13946 2/20 0.32
PDE7B Q9NP56 1/20 0.32
HTR6 P50406 2/20 0.32
MAPT P10636 3/20 0.32
CA3 P07451 3/20 0.32
ALDH1A1 P00352 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32

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
SCHEMBL4215302 0.75 HTT (0.42) CA2CA4CA12CA1CA6
SCHEMBL1114262 0.71 CA2 (0.40) CA2CA4CA12CA1CA6
SCHEMBL6468837 0.64 CA2 (0.38) CA2CA4CA12CA1CA6
SCHEMBL1700282 0.63 MAPT (0.50) CA2CA12CA1CA9MAPT
SCHEMBL1700017 0.63 MAPT (0.50) CA2CA12CA1CA9MAPT
SCHEMBL1114108 0.62
Hydrochloric Acid SCHEMBL6582044 0.60 KMT2A (0.67) CA2CA1MAPTALDH1A1GAA
SCHEMBL23175115 0.60 MEN1 (0.44) ALDH1A1
SCHEMBL6535936 0.59 MAPT (0.64) CA2CA1KCNH2MAPTALDH1A1
SCHEMBL16706314 0.59 MAPT (0.64) CA2CA1KCNH2MAPTALDH1A1

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
EP-2279174-A2 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE Genentech, Inc. (US) 2011-02-02 EP disclosed
WO-2009143246-A2 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2009-11-26 WO disclosed