SCHEMBL1956333

SCHEMBL1956333

NS(=O)(=O)c1ccc(NC2CCN(C(=O)O)C2)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.50
GAA P10253 7/20 0.50
HCAR3 P49019 3/20 0.49
POLB P06746 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
GPR55 Q9Y2T6 1/20 0.47
ALDH3A1 P30838 1/20 0.47
HTT P42858 2/20 0.46
ALDH1A1 P00352 1/20 0.46
WNK1 Q9H4A3 2/20 0.46
DOT1L Q8TEK3 1/20 0.46
PKM P14618 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44

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
SCHEMBL28073275 1.00 MAPT (0.50) MAPTGAAHCAR3POLBTDP1
SCHEMBL28131025 1.00 MAPT (0.50) MAPTGAAHCAR3POLBTDP1
SCHEMBL27910633 0.93 HCAR3 (0.54) MAPTGAAHCAR3POLBTDP1
SCHEMBL27905520 0.91 MAPT (0.52) MAPTGAAHCAR3POLBTDP1
SCHEMBL1700320 0.86 SMN1; SMN2 (0.48) MAPTGAAHCAR3POLBTDP1
SCHEMBL1809958 0.86 SMN1; SMN2 (0.48) MAPTGAAHCAR3POLBTDP1
SCHEMBL1700253 0.85 MAPT (0.50) MAPTGAAPOLBLMNAKMT2A
SCHEMBL2483201 0.85 MAPT (0.50) MAPTGAAPOLBLMNAKMT2A
SCHEMBL1700252 0.85 MAPT (0.50) MAPTGAAPOLBLMNAKMT2A
SCHEMBL16485856 0.84 HCAR3 (0.53) MAPTHCAR3POLBLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106397418-A APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE公司 2017-02-15 CN disclosed
CN-103167867-B Solid dispersion containing apoptosis-inducing medicament ABBVIE 公司 2016-12-21 CN disclosed
CN-103153993-B Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (BS) 2016-06-01 CN disclosed
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
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