SCHEMBL29525751

SCHEMBL29525751

CC1(C)c2ccccc2-c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 3/20 0.53
S100A4 P26447 2/20 0.53
ACHE P22303 2/20 0.53
BCHE P06276 1/20 0.53
CES1 P23141 1/20 0.53
GPR3 P46089 1/20 0.50
MAPT P10636 2/20 0.49
CYP1A2 P05177 1/20 0.49
HSP90AA1 P07900 1/20 0.47
CDK5 Q00535 1/20 0.47
CDK5R1 Q15078 1/20 0.47
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 3/20 0.44
LMNA P02545 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL10049236 1.00 PTPRC (0.53) PTPRCS100A4ACHEBCHECES1
SCHEMBL14174208 0.97 PTPRC (0.50) PTPRCS100A4ACHEBCHECES1
SCHEMBL12282222 0.91 PTPRC (0.53) PTPRCS100A4ACHEBCHECES1
SCHEMBL28447894 0.90 PTPRC (0.53) PTPRCS100A4ACHEBCHECES1
SCHEMBL14073333 0.87 TDP1 (0.50) PTPRCS100A4ACHEBCHECES1
SCHEMBL30937420 0.87 MAOB (0.45) PTPRCS100A4ACHEBCHECES1
SCHEMBL29245311 0.87 MAOB (0.45) PTPRCS100A4ACHEBCHECES1
SCHEMBL17870628 0.84 PTGS2 (0.60) PTPRCS100A4ACHEBCHECES1
SCHEMBL29793943 0.84 PTGS2 (0.60) PTPRCS100A4ACHEBCHECES1
SCHEMBL5846961 0.84 PTPRC (0.54) PTPRCS100A4ACHEBCHECES1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116874377-B Method for preparing aromatic primary amine by catalytic reduction of nitroaromatic hydrocarbon by silver trifluoromethane sulfonate 延安大学 2025-04-11 CN disclosed
CN-119219454-A Method for preparing aromatic nitrile compound by photoinitiating nitroarene denitration cyanation 武汉光化学技术研究院 2024-12-31 CN disclosed
CN-117384046-A Method for preparing aromatic primary amine by catalytic reduction of nitroaromatic hydrocarbon by using N-heterocyclic carbene copper complex 延安大学 2024-01-12 CN disclosed
WO-2023211213-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 솔루스첨단소재 주식회사 2023-11-02 WO disclosed
CN-114507252-B Novel method for synthesizing arylsilane compound 广西大学 2023-10-27 CN disclosed
CN-116874377-A Method for preparing aromatic primary amine by catalytic reduction of nitroaromatic hydrocarbon by silver trifluoromethane sulfonate 延安大学 2023-10-13 CN disclosed
CN-114507252-A Synthesis method of novel aryl silane compound 广西大学 2022-05-17 CN disclosed