SCHEMBL1911571

SCHEMBL1911571

Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.68
CA12 O43570 9/20 0.68
CA1 P00915 9/20 0.68
CA9 Q16790 9/20 0.68
VCAM1 P19320 1/20 0.66
ALDH1A1 P00352 3/20 0.65
POLB P06746 3/20 0.65
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
PKM P14618 2/20 0.65
TDP1 Q9NUW8 4/20 0.60
MAPT P10636 4/20 0.60
CYP3A4 P08684 1/20 0.60
ALOX15 P16050 1/20 0.60
CA5A P35218 6/20 0.58
CA4 P22748 5/20 0.57
CA6 P23280 5/20 0.57
CA7 P43166 5/20 0.57
CA14 Q9ULX7 5/20 0.57
CA5B Q9Y2D0 5/20 0.57

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
SCHEMBL1564742 0.86 KMT2A (0.67) CA2CA12CA1CA9VCAM1
SCHEMBL30932792 0.86 KMT2A (0.67) CA2CA12CA1CA9VCAM1
SCHEMBL11484305 0.85 CA2 (0.64) CA2CA12CA1CA9VCAM1
SCHEMBL27915770 0.84 CA2 (0.72) CA2CA12CA1CA9VCAM1
SCHEMBL1131324 0.83 CASP6 (0.67) CA2CA12CA1CA9ALDH1A1
SCHEMBL4865932 0.83 MEN1 (0.63) CA2CA12CA1CA9VCAM1
SCHEMBL7772187 0.83 MEN1 (0.68) CA2CA12CA1CA9VCAM1
SCHEMBL913390 0.83 ALDH1A1 (0.68) CA2CA12CA1CA9VCAM1
SCHEMBL1366871 0.83 MEN1 (0.63) CA2CA12CA1CA9VCAM1
SCHEMBL11438138 0.82 FFAR4 (0.58) CA2CA12CA1CA9VCAM1

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112661677-A Synthesis method of antiviral drug intermediate 4-amino-3-nitrobenzenesulfonamide 南京哈柏医药科技有限公司 2021-04-16 CN claimed
CN-121820062-A Inhibitor for inhibiting pyrite and application method thereof in copper-molybdenum ore floatation 昆明冶金研究院有限公司 2026-04-10 CN disclosed
WO-2024043741-A1 AUTOTAXIN INHIBITOR COMPOUND AND PHARMACEUTICAL COMPOSITION CONTAINING SAME 주식회사 레고켐 바이오사이언스 2024-02-29 WO disclosed
US-20210403467-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2021-12-30 US disclosed
CN-112661677-A Synthesis method of antiviral drug intermediate 4-amino-3-nitrobenzenesulfonamide 南京哈柏医药科技有限公司 2021-04-16 CN disclosed
CN-112661677-A Synthesis method of antiviral drug intermediate 4-amino-3-nitrobenzenesulfonamide 南京哈柏医药科技有限公司 2021-04-16 CN disclosed
CN-112661677-A Synthesis method of antiviral drug intermediate 4-amino-3-nitrobenzenesulfonamide 南京哈柏医药科技有限公司 2021-04-16 CN disclosed
CN-107987075-B Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases 艾伯维公司 2020-12-01 CN disclosed
US-20200331907-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2020-10-22 US disclosed
EP-3415514-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES AbbVie Inc. (US) 2018-12-19 EP disclosed
EP-0280156-B1 PROCESS FOR THE PREPARATION OF ACETOACETYLARYLAMIDES-HETEROARYLAMIDES RESPECTIVELY OF DEACTIVED AROMATIC COMPOUNDS HOECHST AKTIENGESELLSCHAFT (DE) 1992-11-11 EP disclosed
US-5061706-A 2,3-QUINOXALINEDIONES FOR USE AS NEUROLEPTICS NOVO NORDISK A/S (DK) 1991-10-29 US disclosed
EP-0377112-A1 Quinoxaline compounds and their preparation and use NOVO NORDISK A/S (DK) 1990-07-11 EP disclosed
EP-0280156-A2 Process for the preparation of acetoacetylarylamides-heteroarylamides respectively of deactived aromatic compounds HOECHST AKTIENGESELLSCHAFT (DE) 1988-08-31 EP disclosed
US-4567252-A Water-insoluble naphthol monoazo dyestuff CASSELLA AKTIENGESELLSCHAFT (DE) 1986-01-28 US disclosed
US-4315855-A Monoazo disperse dyes containing a nitrophenyl group and a homophthalimide group BASF AKTIENGESELLSCHAFT (DE) 1982-02-16 US disclosed
US-4083686-A AZO DYES, WASHFASTNESS, PHOTOSTABILITY, SOLVENT RESISTANCE BASF AKTIENGESELLSCHAFT (DT) 1978-04-11 US disclosed
US-4014647-A DISPERSE DYES CONTAINING SULFONAMIDE GROUPS BAYER AKTIENGESELLSCHAFT (DT) 1977-03-29 US disclosed
US-4005199-A Substituted benzenesulfonamides as anthelmintics MERCK & CO., INC. (US) 1977-01-25 US disclosed
US-3987199-A PARASITICIDES MERCK & CO., INC. (US) 1976-10-19 US disclosed