SCHEMBL557939

SCHEMBL557939

Cc1ccc([N+](=O)[O-])c(C)c1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.72
CYP3A4 P08684 2/20 0.72
MAPT P10636 1/20 0.60
HSD17B10 Q99714 2/20 0.56
HPGD P15428 1/20 0.51
ALDH1A1 P00352 2/20 0.49
RECQL P46063 1/20 0.48
GPR35 Q9HC97 1/20 0.48
ACHE P22303 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
KAT2B Q92831 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
SCHEMBL294724 0.84 TSHR (1.00) TSHRCYP3A4MAPTHSD17B10ALDH1A1
Phthalic Acid SCHEMBL10580388 0.83 TSHR (0.59) TSHRCYP3A4HSD17B10SMN1; SMN2KMT2A
SCHEMBL29613904 0.82 TSHR (0.72) TSHRCYP3A4MAPTHSD17B10ALDH1A1
SCHEMBL171914 0.82 TSHR (0.72) TSHRCYP3A4MAPTHSD17B10ALDH1A1
SCHEMBL11293963 0.82 MAPT (0.60) TSHRCYP3A4MAPTHSD17B10HPGD
SCHEMBL7662542 0.80 MAPT (0.58) TSHRCYP3A4MAPTHSD17B10HPGD
SCHEMBL2948384 0.80 TSHR (0.69) TSHRCYP3A4MAPTHSD17B10HPGD
SCHEMBL2538774 0.79 TSHR (0.52) TSHRCYP3A4MAPTHSD17B10ALDH1A1
SCHEMBL10830697 0.78 MAPT (0.56) TSHRCYP3A4MAPTHSD17B10HPGD
Potassium Ion SCHEMBL9164969 0.78 TSHR (0.67) TSHRCYP3A4MAPTHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117160452-B Supported iridium-indium bimetallic catalyst for aromatic nitro reduction methylation and preparation method and application thereof 浙江大学衢州研究院 2025-04-25 CN claimed
CN-116283598-B Method for preparing 3-methyl-4-nitrobenzoic acid by nitric acid continuous oxidation 浙江科技学院 2024-11-19 CN claimed
US-12087931-B2 Hybrid battery system with multiple discharge voltage plateaus and greater charge capacity of metal in the negative electrode CNPC USA CORPORATION (US) 2024-09-10 US claimed
CN-115728419-B Detection method for simultaneously determining various potential genotoxic impurities of bupivacaine hydrochloride 江苏威奇达药业有限公司 2024-09-03 CN claimed
CN-116462591-B Synthesis method of 3-methyl-4-nitrobenzoic acid 安徽江泰新材料科技有限公司 2024-06-11 CN claimed
US-20240141759-A1 METHOD FOR POWERING WITH A HYBRID BATTERY PACK SYSTEM CNPC USA CORPORATION 2024-05-02 US claimed
US-11905799-B2 Hybrid battery pack system CNPC USA CORPORATION (US) 2024-02-20 US claimed
CN-117160452-A Supported iridium-indium bimetallic catalyst for aromatic nitro reduction methylation and preparation method and application thereof 浙江大学衢州研究院 2023-12-05 CN claimed
EP-3276696-B1 FUNCTIONAL LAYER FORMING COMPOSITION AND METHOD FOR MANUFACTURING THE SAME SEIKO EPSON CORP (JP) 2023-10-11 EP claimed
WO-2023161765-A1 A SYSTEM AND PROCESS FOR WASHING MONO NITROXYLENES, RECOVERING AND REUSING REACTION WASTES DEEPAK NITRITE LIMITED (IN) 2023-08-31 WO claimed
CN-100434175-C Catalyst and its use for synthesizing 4-nitro-3-methyl benzoic acid UNIV ZHENGZHOU (CN) 2008-11-19 CN claimed
CN-1944393-A Process for continuously preparing nitro-xylene isomer monomer YINGUANG CHEMICAL INDUSTRY GRO (CN) 2007-04-11 CN claimed
CN-1935376-A Catalyst and its use for synthesizing 4-nitro-3-methyl benzoic acid UNIV ZHENGZHOU (CN) 2007-03-28 CN claimed
EP-1037873-B1 METHOD FOR PRODUCING ORGANIC HYDROXYLAMINES CONSORTIUM ELEKTROCHEM IND (DE) 2001-08-22 EP claimed
US-6211410-B1 PARTIALLY HYDROGENATING ORGANIC NITRO COMPOUND IN PRESENCE OF ORGANIC BASE OR AMMONIA, TRIVALENT PHOSPHORUS COMPOUND AND HYDROGENATION CATALYST Consortium für elektrochemische Industrie GmbH (DE) 2001-04-03 US claimed
EP-1037873-A1 METHOD FOR PRODUCING ORGANIC HYDROXYLAMINES Consortium für elektrochemische Industrie GmbH (DE) 2000-09-27 EP claimed
WO-1999028289-A1 METHOD FOR PRODUCING ORGANIC HYDROXYLAMINES Consortium für elektrochemische Industrie GmbH (DE) 1999-06-10 WO claimed
CN-1022483-C Process for preparing 2, 4-dimethylaniline and 2, 6-dimethylaniline ZHEJIANG POLYTECHNIC COLLEGE (CN) 1993-10-20 CN claimed
CN-1055922-A 2,4-xylidine and 2, the preparation method of 6-xylidine ZHEJIANG POLYTECHNIC COLLEGE (CN) 1991-11-06 CN claimed
US-4171425-A ANIONIC CATALYST, 2-PYRROLIDONE OR E-CAPROLACTAM CHEVRON RESEARCH COMPANY (US) 1979-10-16 US claimed