Toluene

Toluene

SCHEMBL28100339

CCCCCN=C=O.Cc1ccccc1.S

nearest known ligand 0.38

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38
ACHE P22303 1/20 0.38
NAAA Q02083 4/20 0.37
MIF P14174 2/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CNR2 P34972 1/20 0.35
HTT P42858 1/20 0.34
KEAP1 Q14145 3/20 0.34
NFE2L2 Q16236 3/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
DNM1 Q05193 1/20 0.34

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 SCHEMBL28180326 0.89 LMNA (0.44) LMNATSHRALOX12ACHENAAA
Toluene SCHEMBL27815423 0.89 LMNA (0.44) LMNATSHRALOX12ACHENAAA
Toluene SCHEMBL1508677 0.84 LMNA (0.39) LMNATSHRALOX12ACHENAAA
Toluene SCHEMBL27719471 0.83 LMNA (0.50) LMNATSHRALOX12ACHEMIF
Phenol SCHEMBL8465237 0.81 ALDH1A1 (0.41) LMNAACHENAAACES2CES1
O-Xylene SCHEMBL28554571 0.80 KEAP1 (0.40) TSHRACHENAAAMIFCNR2
SCHEMBL11231904 0.80 NAAA (0.39) LMNATSHRNAAAMIFMAOA
SCHEMBL10687867 0.80 NAAA (0.58) LMNAACHENAAAMIF
SCHEMBL9132725 0.80 NAAA (0.39) LMNATSHRNAAAMIFMAOA
Toluene SCHEMBL3469158 0.80 ALDH1A1 (0.34) LMNATSHRALOX12ACHENAAA

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-109103501-A A kind of lithium-ion battery electrolytes 惠州市智键科技有限公司 2018-12-28 CN claimed
CN-110372545-A A kind of preparation method of the gliclazide intermediate tolylsulfonylurea of high-purity 山东海佑福瑞达制药有限公司 2019-10-25 CN disclosed
CN-109321125-A A kind of UV moisture dual cure three-proofing coating 依工特种材料(苏州)有限公司 2019-02-12 CN disclosed
CN-107311893-B The synthetic method of temperature-sensitive sensitizer N- tolysulfonyl-N '-(3- tolysulfonyl phenyl) urea 耿潇 2018-11-09 CN disclosed
CN-105189593-B Reparation liquid for conveyer belt SIKA技术股份公司 2018-05-15 CN disclosed
CN-107311893-A The synthetic method of temperature-sensitive sensitizer N tolysulfonyl N ' (3 tolysulfonyl phenyl) urea 耿潇 2017-11-03 CN disclosed
CN-103974991-B Expansion joint comprising a hybrid polyurea-polyurethane end composition 建筑研究和技术有限公司 2016-08-31 CN disclosed