SCHEMBL1958639

SCHEMBL1958639

NS(=O)(=O)c1ccc(N(CCCC(F)(F)F)C2CCNCC2)c([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA9 Q16790 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
VCAM1 P19320 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
TDP1 Q9NUW8 3/20 0.36
MAPT P10636 6/20 0.36
POLB P06746 2/20 0.36
PKM P14618 1/20 0.36
TACR1 P25103 1/20 0.36
ALDH1A1 P00352 2/20 0.35
GAA P10253 3/20 0.35
HTT P42858 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34

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
SCHEMBL1958846 0.90 CA2 (0.42) CA2CA12CA1CA9SMN1; SMN2
SCHEMBL1700227 0.89 CA2 (0.43) CA2CA12CA1CA9SMN1; SMN2
SCHEMBL1960063 0.88 CA2 (0.44) CA2CA12CA1CA9SMN1; SMN2
SCHEMBL28092192 0.85 TDP1 (0.49) CA2CA12CA1CA9SMN1; SMN2
SCHEMBL2482930 0.83 VCAM1 (0.51) CA2CA12CA1CA9VCAM1
SCHEMBL1956646 0.83 CA2 (0.46) CA2CA12CA1CA9SMN1; SMN2
SCHEMBL1956266 0.83 VCAM1 (0.43) CA2CA12CA1CA9SMN1; SMN2
SCHEMBL1866518 0.82 CA2 (0.43) CA2CA12CA1CA9SMN1; SMN2
SCHEMBL1957312 0.82 SMN1; SMN2 (0.39) CA2CA12CA1CA9SMN1; SMN2
SCHEMBL1959371 0.82 CA2 (0.45) CA2CA12CA1CA9SMN1; SMN2

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
EP-2507229-A1 SULFONAMIDE DERIVATIVES AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES Abbott Laboratories (US) 2012-10-10 EP disclosed
EP-2376480-A2 SULFONAMIDE DERIVATIVES AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES Abbott Laboratories (US) 2011-10-19 EP disclosed
WO-2011068561-A1 SULFONAMIDE DERIVATIVES AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-06-09 WO disclosed
WO-2010065865-A2 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-06-10 WO disclosed