SCHEMBL4450802

SCHEMBL4450802

Nc1ccc(CNS(=O)(=O)c2cccc3c(N)cccc23)cc1

nearest known ligand 0.82

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 16/20 0.82
NPY5R Q15761 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
TTR P02766 1/20 0.49

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
Hydrochloric Acid SCHEMBL4445018 0.99 NSD2 (0.82) NSD2NPY5RCA12CA1CA2
SCHEMBL4445013 0.90 NSD2 (1.00) NSD2CA1CA2CA9
SCHEMBL4441197 0.90 NSD2 (1.00) NSD2NPY5R
SCHEMBL4443335 0.89 NSD2 (0.78) NSD2
Hydrochloric Acid SCHEMBL4445433 0.89 NSD2 (1.00) NSD2CA1CA2CA9
SCHEMBL4454417 0.89 NSD2 (0.78) NSD2
Hydrochloric Acid SCHEMBL4444954 0.87 NSD2 (0.78) NSD2
Hydrochloric Acid SCHEMBL4446935 0.87 NSD2 (0.78) NSD2
SCHEMBL4444949 0.87 NSD2 (0.84) NSD2NPY5R
SCHEMBL4450751 0.87 NSD2 (0.76) NSD2CA12CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547716-B2 Sulfonamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-06-16 US claimed
US-7547716-B2 Sulfonamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-06-16 US disclosed
EP-1402890-B1 SULFONAMIDE DERIVATIVES INST MED MOLECULAR DESIGN INC (JP) 2008-01-09 EP disclosed
EP-1402890-A1 SULFONAMIDE DERIVATIVES Institute of Medicinal Molecular Design, Inc. (JP) 2004-03-31 EP disclosed