SCHEMBL211181

SCHEMBL211181

NC(=O)Oc1ccccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
TDP1 Q9NUW8 2/20 0.58
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.56
RECQL P46063 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
KDM4E B2RXH2 1/20 0.55
CYP1A2 P05177 1/20 0.55
MAPT P10636 1/20 0.55
CYP2C9 P11712 1/20 0.55
KMT2A Q03164 2/20 0.53
HTT P42858 1/20 0.53
MEN1 O00255 1/20 0.53
HPGD P15428 1/20 0.51
ESR2 Q92731 1/20 0.49
PLAU P00749 1/20 0.49
CTSD P07339 1/20 0.47
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SENP8 Q96LD8 1/20 0.46

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
Butane SCHEMBL19439091 0.92 ALDH1A1 (0.54) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL57736 0.86 ALDH1A1 (0.60) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL430044 0.86 ALDH1A1 (0.60) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL31572517 0.86 ALDH1A1 (0.60) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL29911025 0.86 ALDH1A1 (0.60) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL28793663 0.86 ALDH1A1 (0.60) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL2373772 0.86 GPR35 (0.51) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL5015723 0.85 ALDH1A1 (0.58) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL57738 0.85 ALDH1A1 (0.58) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL57737 0.85 ALDH1A1 (0.58) ALDH1A1TDP1RAB9ANPC1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1718667-A4 HETEROCYCLIC SELF-IMMOLATIVE LINKERS AND CONJUGATES GENENTECH INC (US) 2009-04-08 EP claimed
EP-1718667-A2 HETEROCYCLIC SELF-IMMOLATIVE LINKERS AND CONJUGATES GENENTECH, INC. (US) 2006-11-08 EP claimed
WO-2005082023-A2 HETEROCYCLIC SELF-IMMOLATIVE LINKERS AND CONJUGATES GENENTECH, INC. (US) 2005-09-09 WO claimed
EP-0755394-A1 A METHOD OF INDUCING CHOLECYSTOKININ AGONIST ACTIVITY USING 1,4-BENZODIAZEPINE COMPOUNDS GLAXO WELLCOME INC. (US) 1997-01-29 EP claimed
WO-1995028399-A1 A METHOD OF INDUCING CHOLECYSTOKININ AGONIST ACTIVITY USING 1,4-BENZODIAZEPINE COMPOUNDS GLAXO WELLCOME INC. (US) 1995-10-26 WO claimed
JP-4069624-A None JP disclosed
CN-122031506-A Chiral control 波涛生命科学有限公司 2026-05-15 CN disclosed
EP-4684030-A2 METHOD OF DEPROTECTING AT LEAST ONE D-AMINO ACID AND/OR D-AMINO ACID DERIVATIVE PROTECTED FUNCTIONAL GROUP Martin-Luther-Universität Halle-Wittenberg (DE) 2026-01-28 EP disclosed
CN-118667121-B Polyurea acrylate oligomer containing protected group, and preparation method and application thereof 浙江大学 2025-03-21 CN disclosed
CN-118922409-A Asymmetric piperazine-based cationic lipids 翻译生物公司 2024-11-08 CN disclosed
WO-2024227957-A2 METHOD OF DEPROTECTING AT LEAST ONE D-AMINO ACID AND/OR D-AMINO ACID DERIVATIVE PROTECTED FUNCTIONAL GROUP Martin-Luther-Universität Halle-Wittenberg (DE) 2024-11-07 WO disclosed
CN-114040912-B Compounds for the treatment of kinase dependent disorders 埃克塞里艾克西斯公司 2024-10-25 CN disclosed
WO-1996022275-A1 METHOD OF PREPARING RETROVIRAL PROTEASE INHIBITOR INTERMEDIATES G.D. SEARLE & CO. (US) 1996-07-25 WO disclosed
WO-1996011940-A1 ACYL AMINO ACETAMIDE DERIVATIVES WITH AGONIST ACTIVITY FOR CCK-A RECEPTORS GLAXO WELLCOME INC. (US) 1996-04-25 WO disclosed
WO-1996000708-A1 METHOD FOR PREPARING ALKYLATING AGENTS AND THEIR USE FOR ALKYLATING CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-01-11 WO disclosed
WO-1995028399-A1 A METHOD OF INDUCING CHOLECYSTOKININ AGONIST ACTIVITY USING 1,4-BENZODIAZEPINE COMPOUNDS GLAXO WELLCOME INC. (US) 1995-10-26 WO disclosed
WO-1995014653-A1 METHOD FOR MAKING INTERMEDIATES USEFUL IN SYNTHESIS OF RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-06-01 WO disclosed
EP-0565074-A2 Process for the preparation of binary sensitizing dyes EASTMAN KODAK COMPANY (US) 1993-10-13 EP disclosed
JP-H0469624-A NONLINEAR OPTICAL MATERIAL MIYATA SEIZO 1992-03-04 JP disclosed
US-4469882-A FROM AROMATIC NITRO COMPOUND, ALCOHOL AND CARBON MONOXIDE MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1984-09-04 US disclosed