SCHEMBL104513

SCHEMBL104513

CC(C)c1ccccc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.50
GABRB2 P47870 2/20 0.50
CYP3A4 P08684 4/20 0.47
ALOX15 P16050 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
TSHR P16473 2/20 0.46
FAAH O00519 2/20 0.46
PTGS1 P23219 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
HPGD P15428 1/20 0.46
GABRB1 P18505 1/20 0.46
SLC6A2 P23975 1/20 0.46
HTR2C P28335 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
SCHEMBL30223644 1.00 GABRA1 (0.50) GABRA1GABRB2CYP3A4ALOX15CASP1
Hydrochloric Acid SCHEMBL2864375 0.97 GABRA1 (0.48) GABRA1GABRB2CYP3A4ALOX15CASP1
Bromide SCHEMBL7344099 0.97 GABRA1 (0.48) GABRA1GABRB2CYP3A4ALOX15CASP1
Dimethylamine SCHEMBL11252429 0.93 GABRA1 (0.44) GABRA1GABRB2CYP3A4ALOX15CASP1
Cyclopropane SCHEMBL3772995 0.93 GABRA1 (0.44) GABRA1GABRB2CYP3A4ALOX15CASP1
SCHEMBL9818622 0.91 CYP3A4 (0.44) GABRA1GABRB2CYP3A4ALOX15CASP1
Aniline SCHEMBL22169125 0.91 TSHR (0.50) GABRA1GABRB2CYP3A4ALOX15CASP1
SCHEMBL6201553 0.83 CYP3A4 (0.48) GABRA1GABRB2CYP3A4ALOX15CASP1
SCHEMBL21534246 0.83 CYP3A4 (0.47) GABRA1GABRB2CYP3A4ALOX15CASP1
SCHEMBL1061130 0.83 CYP3A4 (0.48) GABRA1GABRB2CYP3A4ALOX15CASP1

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 2776 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119798252-A Method for preparing N-ortho-acyl substituted nitrogen-containing heterocyclic compound and amine-shrinking iron (II) complex thereof 中国石油化工股份有限公司 2025-04-11 CN claimed
CN-119684069-A Method for preparing beta-trichloromethyl butyl ester or amide 中国科学院大连化学物理研究所 2025-03-25 CN claimed
CN-119630281-A Alkaline suspension system built up from hydrotrope and amine 斯蒂潘公司 2025-03-14 CN claimed
CN-119143751-A N-ortho-acyl substituted nitrogen-containing heterocyclic compound and preparation method of amine-shrinking iron (II) complex thereof 中国石油化工股份有限公司 2024-12-17 CN claimed
CN-119143750-A Preparation method of N-ortho-alkyl substituted 1, 10-phenanthroline compound and catalyst prepared by same 中国石油化工股份有限公司 2024-12-17 CN claimed
CN-118955264-A Method for preparing p-benzoquinone compound by oxidizing aniline compound 浙江大学 2024-11-15 CN claimed
CN-114031519-B Method for synthesizing N-aryl imine 浙江工业大学 2024-04-26 CN claimed
CN-117820187-A Application of ten-core 3d-4f supermolecule nano cage material in catalyzing three-component aza-Darzens reaction 兰州大学 2024-04-05 CN claimed
CN-117801214-A High-strength wear-resistant thermoplastic polyurethane elastomer and preparation method and application thereof 万华化学集团股份有限公司 2024-04-02 CN claimed
CN-117069592-A Preparation method for synthesizing isopropyl aniline through solvent-free hydrogenation reduction 葫芦岛天启晟业化工有限公司 2023-11-17 CN claimed
US-5684163-A Process for the preparation of N-(ortho-alkylphenyl)-imides BAYER AKTIENGESELLSCHAFT (DE) 1997-11-04 US claimed
EP-0726253-A1 Process for the preparation of N-(ortho-alkyl-phenyl)-imides BAYER AG (DE) 1996-08-14 EP claimed
EP-0322643-B1 MEDICINES CONTAINING AS A MIXTURE INTERFERON AND 1-DESOXY-PIPERIDINOSES, PROCESS FOR THEIR MANUFACTURE AND THEIR USE BAYER AG (DE) 1991-07-24 EP claimed
US-5026912-A High selectivity to ortho-alkylated amines AIR PRODUCTS AND CHEMICALS, INC. (US) 1991-06-25 US claimed
US-4851579-A REACTING WITH OLEFINS OR ALCOHOLS TO GIVE ORTHO-ALKYLATED PRODUCTS; CATALYST SELECTIVITY AIR PRODUCTS AND CHEMICALS, INC. (US) 1989-07-25 US claimed
US-4490273-A CURABLE POLYEPOXIDES CELANESE CORPORATION (US) 1984-12-25 US claimed
US-4410730-A Process for the production of o-(N-monosubstituted amino)benzyl alcohols SHIONOGI & CO., LTD. (JP) 1983-10-18 US claimed
US-4374272-A Process for preparing 2-(4'-hydroxyaryl)-2-(4'-aminoaryl)-propanes MITSUI TOATSU CHEMICALS, INC. (JP) 1983-02-15 US claimed
EP-0019232-B1 A PROCESS FOR THE PREPARATION OF POLYURETHANE-UREA ELASTOMERS BAYER AG (DE) 1982-05-26 EP claimed
EP-0019232-A1 A process for the preparation of polyurethane-urea elastomers BAYER AG (DE) 1980-11-26 EP claimed