SCHEMBL258555

SCHEMBL258555

O=C(O)C(=O)Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
TSHR P16473 1/20 0.56
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
RAB9A P51151 4/20 0.55
NPC1 O15118 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
CYP2C19 P33261 2/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
POLB P06746 1/20 0.52
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.51
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL9690178 1.00 ALDH1A1 (0.58) ALDH1A1L3MBTL1TSHRMEN1KMT2A
Oxalic Acid SCHEMBL28273676 0.98 ALDH1A1 (0.56) ALDH1A1L3MBTL1TSHRMEN1KMT2A
Oxalic Acid SCHEMBL9180724 0.87 CYP1A2 (0.58) ALDH1A1L3MBTL1TSHRMEN1KMT2A
SCHEMBL74692 0.87 CYP1A2 (0.62) ALDH1A1L3MBTL1TSHRMEN1KMT2A
SCHEMBL1628292 0.86 ALDH1A1 (0.55) ALDH1A1L3MBTL1TSHRMEN1KMT2A
Ethyl Acetate SCHEMBL28856852 0.85 KMT2A (0.50) ALDH1A1L3MBTL1MEN1KMT2ARAB9A
SCHEMBL27861233 0.85 CYP1A2 (0.60) ALDH1A1L3MBTL1TSHRMEN1KMT2A
SCHEMBL28223983 0.85 CYP1A2 (0.60) ALDH1A1L3MBTL1TSHRMEN1KMT2A
Hydrochloric Acid SCHEMBL2530464 0.85 CYP1A2 (0.60) ALDH1A1L3MBTL1TSHRMEN1KMT2A
SCHEMBL28157714 0.85 CYP1A2 (0.60) ALDH1A1L3MBTL1TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118834154-A Synthesis method of 1H-indole-2-carboxylic acid 安徽大学 2024-10-25 CN claimed
CN-117926001-A Carbonyl acid extractant for extracting and separating germanium 有研资源环境技术研究院(北京)有限公司 2024-04-26 CN claimed
CN-102432524-A Method for preparing 2-carboxylic acid indole SUZHOU CHENGHE PHARMACEUTICAL & CHEMICAL CO LTD 2012-05-02 CN claimed
CN-1043226-C Preparation of ortho-nitrobenzaldehyde from ortho-nitrophenyl-pyruvic acid SHANGHAI PETRO CHEM CHINA PETR (CN) 1999-05-05 CN claimed
CN-1111232-A Preparation of ortho-nitrobenzaldehyde from ortho-nitrophenyl-pyruvic acid SHANGHAI PETRO CHEM INDUSTRY I (CN) 1995-11-08 CN claimed
US-4727183-A Process for the asymmetric synthesis of chiral α-hydroxy-2-nitrobenzenepropanoic acid AMERICAN HOME PRODUCTS CORPORATION (US) 1988-02-23 US claimed
US-4614806-A Process for the asymmetric synthesis of chiral indoline-2-carboxylic acids AMERICAN HOME PRODUCTS CORPORATION (US) 1986-09-30 US claimed
US-4585879-A Process for preparing indoline-2-carboxylic acids via alpha-hydroxy-2-nitrobenzenepropanoic acid AMERICAN HOME PRODUCTS CORPORATION (US) 1986-04-29 US claimed
EP-0092267-B1 A PROCESS FOR PRODUCING O-NITROBENZALDEHYDE SIEGFRIED AKTIENGESELLSCHAFT (CH) 1985-04-10 EP claimed
US-4506077-A Tin complexes of indoline-2-carboxylic acids and esters prepared from o-nitrophenylpyruvic acids and esters AMERICAN HOME PRODUCTS CORPORATION (US) 1985-03-19 US claimed
EP-0092267-A1 A process for producing o-nitrobenzaldehyde SIEGFRIED AKTIENGESELLSCHAFT (CH) 1983-10-26 EP claimed
EP-0054971-A1 1-Carba-6-(1-hydroxyethyl)-2-carbonyl-penem-3-carboxylic acid, process for preparing and pharmaceutical compositions comprising the same MERCK & CO. INC. (US) 1982-06-30 EP claimed
US-4321197-A 1-Carba-6-(1-hydroxyethyl)-2-carbonyl-penem-3-carboxylic acid and preparation thereof MERCK & CO., INC. (US) 1982-03-23 US claimed
US-4203928-A Process for the preparation of 2-nitrobenzaldehyde BAYER AKTIENGESELLSCHAFT (DE) 1980-05-20 US claimed
US-3996289-A Process for the preparation of 2-nitrobenzaldehyde BAYER AKTIENGESELLSCHAFT (DT) 1976-12-07 US claimed
JP-7215936-A None JP disclosed
EP-4585266-A2 COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT OR OPTICAL ISOMER THEREOF, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF VIRAL DISEASES CONTAINING SAME AS ACTIVE INGREDIENT Korea Research Institute of Chemical Technology (KR) 2025-07-16 EP disclosed
US-4171954-A ESTERIFICATION BURLINGTON INDUSTRIES, INC. (US) 1979-10-23 US disclosed
US-4111648-A REACTIVE DYEING SYSTEMS USING DYES WITH CARBOXYLIC ACID GROUPS BURLINGTON INDUSTRIES, INC. (US) 1978-09-05 US disclosed
US-3996289-A Process for the preparation of 2-nitrobenzaldehyde BAYER AKTIENGESELLSCHAFT (DT) 1976-12-07 US disclosed