Toluene

Toluene

SCHEMBL28522020

Cc1ccccc1.ClCc1ccc(Cl)nc1

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.49
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 3/20 0.44
KDM1A O60341 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
ACHE P22303 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL7473161 0.85 GAA (0.51) GAAL3MBTL1KDM4EMAPTALDH1A1
SCHEMBL17799 0.84
Hydrochloric Acid SCHEMBL7501190 0.82 GAA (0.50) GAAL3MBTL1KDM4EMAPTALDH1A1
Hydrochloric Acid SCHEMBL31554969 0.82 GAA (0.50) GAAL3MBTL1KDM4EMAPTALDH1A1
Pyridine SCHEMBL15644026 0.80 GAA (0.46) GAAL3MBTL1KDM4EMAPTALDH1A1
Acetonitrile SCHEMBL28834725 0.78 ALDH1A1 (0.49) GAAL3MBTL1KDM4EMAPTALDH1A1
(Chloromethyl)Benzene SCHEMBL10950493 0.74 TSHR (0.58) L3MBTL1KDM4EALDH1A1SMN1; SMN2LMNA
Butanone SCHEMBL28417897 0.74 ALDH1A1 (0.57) GAAL3MBTL1KDM4EMAPTALDH1A1
SCHEMBL7784836 0.73 L3MBTL1 (0.55) GAAL3MBTL1KDM4EMAPTALDH1A1
SCHEMBL28251850 0.73 GAA (0.42) GAAL3MBTL1KDM4EMAPTALDH1A1

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-213863725-U 2-chlorine-5-chloromethyl pyridine toluene liquid turnover tank 唐山瑞拓科技有限公司 2021-08-03 CN claimed
CN-102827070-B A kind of improvement technique of synthesis N-(6-chloro-3-pyridylmethyl)-methylamine 安徽常泰化工有限公司 2016-08-10 CN claimed
CN-111732533-B Method for preparing N- (6-chloro-3-picolyl) methylamine by micro-channel reactor 宁夏瑞泰科技股份有限公司 2023-11-07 CN disclosed
CN-213863725-U 2-chlorine-5-chloromethyl pyridine toluene liquid turnover tank 唐山瑞拓科技有限公司 2021-08-03 CN disclosed
CN-111732533-A Method for preparing N- (6-chloro-3-picolyl) methylamine by using microchannel reactor 宁夏瑞泰科技股份有限公司 2020-10-02 CN disclosed
CN-102827070-B A kind of improvement technique of synthesis N-(6-chloro-3-pyridylmethyl)-methylamine 安徽常泰化工有限公司 2016-08-10 CN disclosed
CN-102827070-A Improved process for synthesizing N-(6-chloro-3-picolyl)-methylamine ANHUI CHANGTAI CHEMICAL CO LTD 2012-12-19 CN disclosed