SCHEMBL76204

SCHEMBL76204

O=C(O)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.64
CYP1A2 P05177 2/20 0.64
ALDH1A1 P00352 4/20 0.58
TSHR P16473 2/20 0.57
MAPT P10636 3/20 0.56
GAA P10253 2/20 0.56
PKM P14618 1/20 0.56
LOXL2 Q9Y4K0 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
CA2 P00918 1/20 0.54
CAMK2A Q9UQM7 1/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
HTT P42858 2/20 0.53
AKR1B1 P15121 1/20 0.52
CES1 P23141 1/20 0.52
ABCC4 O15439 1/20 0.50
LMNA P02545 1/20 0.50
PTGS1 P23219 1/20 0.50
IDO1 P14902 1/20 0.50

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
SCHEMBL30643815 1.00 CYP2C19 (0.64) CYP2C19CYP1A2ALDH1A1TSHRMAPT
Hydrochloric Acid SCHEMBL2527458 0.98 CYP2C19 (0.62) CYP2C19CYP1A2ALDH1A1TSHRMAPT
SCHEMBL1369959 0.98 CYP2C19 (0.62) CYP2C19CYP1A2ALDH1A1TSHRMAPT
SCHEMBL27861234 0.98 CYP2C19 (0.62) CYP2C19CYP1A2ALDH1A1TSHRMAPT
SCHEMBL1369963 0.98 CYP2C19 (0.62) CYP2C19CYP1A2ALDH1A1TSHRMAPT
SCHEMBL17154340 0.94 CYP2C19 (0.58) CYP2C19CYP1A2ALDH1A1TSHRMAPT
P-Nitrophenol SCHEMBL26680187 0.93 CA2 (0.68) CYP2C19CYP1A2ALDH1A1TSHRMAPT
Acetonitrile SCHEMBL29144707 0.89 CYP1A2 (0.54) CYP2C19CYP1A2ALDH1A1TSHRMAPT
SCHEMBL8927983 0.89 CYP2C19 (0.54) CYP2C19CYP1A2ALDH1A1TSHRMAPT
SCHEMBL6246258 0.89 SRD5A2 (0.58) CYP2C19CYP1A2ALDH1A1MAPTMEN1

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

Appears in 4393 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122079800-A Preparation method and analysis method of trans-4-amino-cyclohexyl acetic acid 2026-05-26 CN claimed
WO-2025243208-A2 PROCESS FOR THE PREPARATION AND/OR PURIFICATION OF POLYETHYLENE GLYCOL AND ITS DERIVATIVES, OBTAINED PRODUCT AND USES THEREOF HOVIONE - FARMACIÊNCIA, SA (PT) 2025-11-27 WO claimed
CN-119684167-A Synthesis method of 18F-flurbiptaban marked precursor 国电投核素同创(重庆)科技有限公司 2025-03-25 CN claimed
CN-119613746-A Directably modified hexabenzo-metal organic framework, and preparation method and application thereof 南开大学 2025-03-14 CN claimed
CN-119595618-A Method for rapidly detecting sulfonamides in meat by improved QuEChERS (quantitative polymerase chain reaction) combined enzyme inhibition colorimetric method 山西农业大学 2025-03-11 CN claimed
CN-119569641-A Synthesis method of nilaparib intermediate 4- (piperidin-3-yl) aniline 山东铂源药业股份有限公司 2025-03-07 CN claimed
CN-119552943-A Daqu variety identification method 山西杏花村汾酒厂股份有限公司 2025-03-04 CN claimed
CN-119530195-A Acid-resistant PET plastic degrading enzyme PETase mutant and application thereof 江南大学 2025-02-28 CN claimed
CN-116971185-B Breathable and moisture-permeable polyurethane coating for fabric 苏州久翔纺织整理有限公司 2024-11-12 CN claimed
CN-118546628-A Preparation method of visible light induced enhancement adhesive 安徽大学 2024-08-27 CN claimed
US-4524028-A PENICILLINS CIBA-GEIGY CORPORATION (US) 1985-06-18 US claimed
EP-0034394-B1 PROCESS FOR THE PREPARATION OF 3'-BROMOSUBSTITUTED DEACETOXYCEPHALOSPORANIC ACID SULPHOXIDE DERIVATIVES GIST-BROCADES N.V. (NL) 1984-08-01 EP claimed
US-4405705-A HYDROPHILIC TOYO BOSEKI KABUSHIKI KAISHA T/A TOYOBA CO., LTD. (JP) 1983-09-20 US claimed
US-4370404-A Desensitizing solution for lithographic printing plate FUJI PHOTO FILM CO., LTD. (JP) 1983-01-25 US claimed
US-4366315-A Process for preparing 3'bromo-desacetoxycephalosporanic acid sulfoxide compounds GIST-BROCADES N.V. (NL) 1982-12-28 US claimed
EP-0055616-A1 Antibacterial compounds BEECHAM GROUP PLC (GB) 1982-07-07 EP claimed
US-4328304-A HYDROPHICIC COLLOID, POLYMERIZATION INHIBITOR FUJI PHOTO FILM CO., LTD. (JP) 1982-05-04 US claimed
US-4292142-A MIXTURE OF PHTHALIC ANHYDRIDE AND MALEIC ANHYDRIDE INTERNATIONAL SYNTHETIC RUBBER CO., LTD. (GB) 1981-09-29 US claimed
EP-0034394-A2 Process for the preparation of 3'-bromosubstituted deacetoxycephalosporanic acid sulphoxide derivatives GIST-BROCADES N.V. (NL) 1981-08-26 EP claimed
US-4250253-A Composition adapted for the determination of tri-iodo thyronine and diagnosis method employing same SNAMPROGETTI S.P.A. (IT) 1981-02-10 US claimed