Toluene

Toluene

SCHEMBL7717685

Cc1ccccc1.Nc1ccc(N)cc1

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.71
TSHR P16473 2/20 0.69
ALOX12 P18054 2/20 0.69
LMNA P02545 1/20 0.69
TDP1 Q9NUW8 3/20 0.55
CYP3A4 P08684 3/20 0.55
TAAR1 Q96RJ0 1/20 0.55
HSD17B10 Q99714 1/20 0.55
TEAD4 Q15561 1/20 0.52
MAPT P10636 6/20 0.50
ALDH1A1 P00352 5/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.50
MAOB P27338 5/20 0.48
MAOA P21397 4/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48

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
Toluene SCHEMBL28825231 0.97 ACHE (0.67) ACHETSHRALOX12LMNATDP1
SCHEMBL20685188 0.94 ACHE (0.72) ACHETSHRALOX12LMNATDP1
Toluene SCHEMBL9466072 0.94 ACHE (0.69) ACHETSHRALOX12LMNATDP1
Benzidine SCHEMBL27889001 0.92 TDP1 (0.70) ACHETSHRALOX12LMNATDP1
Benzidine SCHEMBL27996781 0.92 TDP1 (0.70) ACHETSHRALOX12LMNATDP1
Aniline SCHEMBL10391735 0.91 ACHE (0.77) ACHETSHRALOX12LMNATDP1
SCHEMBL16070948 0.91 ACHE (0.65) ACHETSHRALOX12LMNATDP1
SCHEMBL22416626 0.90 ACHE (0.65) ACHETSHRALOX12LMNATDP1
Benzene SCHEMBL28201085 0.90 ACHE (0.87) ACHETSHRALOX12LMNATDP1
Benzidine SCHEMBL27573076 0.89 TDP1 (0.67) ACHETSHRALOX12LMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115902024-B Stable isotope labeling and liquid chromatography-mass spectrometry analysis method for dye with strong reducibility and forbidden limit in hair dye 甘肃省药品检验研究院 2023-11-14 CN disclosed
CN-113710721-A Epoxy resin composition, curable resin composition, cured product, and adhesive 三菱化学株式会社 2021-11-26 CN disclosed
CN-111171301-B Preparation method and application of nitrogenous copolymerized polylactic acid 东华大学 2021-04-06 CN disclosed
EP-3774028-A1 HETEROGENEOUS CATALYSTS FOR THE SYNTHESIS OF CARBAMATES Covestro Intellectual Property GmbH & Co. KG (DE) 2021-02-17 EP disclosed
CN-111171301-A Preparation method and application of nitrogenous copolymerized polylactic acid 东华大学 2020-05-19 CN disclosed
WO-2019185608-A1 HETEROGENEOUS CATALYSTS FOR THE SYNTHESIS OF CARBAMATES COVESTRO DEUTSCHLAND AG (DE) 2019-10-03 WO disclosed
CN-106925238-B A kind of sponge support type organic solvent absorbent and preparation method thereof 福州大学 2019-04-09 CN disclosed
CN-106925238-A A kind of sponge support type organic solvent absorbent and preparation method thereof 福州大学 2017-07-07 CN disclosed
CN-1898292-B Polymer compound and polymer light emitting device using the same SUMITOMO CHEMICAL CO 2011-04-13 CN disclosed
CN-101671231-A Polymer compound and polymer light-emitting device using same SUMITOMO CHEMICAL CO 2010-03-17 CN disclosed
EP-0233139-A2 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1987-08-19 EP disclosed
EP-0141776-B1 REACTIVE DYES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1987-07-08 EP disclosed
EP-0214093-A1 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1987-03-11 EP disclosed
WO-1987001123-A1 REACTIVE DYESTUFFS, THEIR PRODUCTION AND USE CIBA-GEIGY AG (CH) 1987-02-26 WO disclosed
EP-0179019-A1 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1986-04-23 EP disclosed
EP-0141776-A1 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1985-05-15 EP disclosed
EP-0141367-A1 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1985-05-15 EP disclosed
EP-0132223-A1 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1985-01-23 EP disclosed
EP-0131545-A1 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1985-01-16 EP disclosed
EP-0131542-A1 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1985-01-16 EP disclosed