M-Xylene

M-Xylene

SCHEMBL996903

Cc1cccc(C)c1.O=S(=O)(Cl)Cl

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.67
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
PARP1 P09874 1/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 2/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.41
LMNA P02545 2/20 0.40
HSP90AA1 P07900 1/20 0.40
MGLL Q99685 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MEN1 O00255 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.40
NPC1 O15118 1/20 0.39
CASP3 P42574 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
SCHEMBL703490 0.85 ACHE (0.48) ACHEKMT2AL3MBTL1LMNAHSP90AA1
SCHEMBL4618588 0.84 ACHE (0.74) ACHEKMT2AALDH1A1MAPK1TSHR
SCHEMBL1410581 0.84 ALDH1A1 (0.74) ACHEKMT2AALDH1A1MAPK1HDAC8
M-Xylene SCHEMBL10416113 0.83 ACHE (0.67) ACHEKMT2AALDH1A1MAPK1PARP1
M-Xylene SCHEMBL27858710 0.83 ACHE (0.67) ACHEKMT2AALDH1A1MAPK1PARP1
M-Xylene SCHEMBL27875113 0.83 ACHE (0.67) ACHEKMT2AALDH1A1MAPK1PARP1
SCHEMBL841739 0.82 ALDH1A1 (0.44) ACHEALDH1A1MAPK1TSHRTDP1
SCHEMBL27310696 0.82 ALDH1A1 (0.44) ACHEALDH1A1MAPK1TSHRTDP1
M-Xylene SCHEMBL28189 0.82
M-Xylene SCHEMBL891494 0.82 ACHE (1.00) ACHEALDH1A1MAPK1PARP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109897088-B Phenylalanine derivative containing N- (2-oxoethyl) benzene sulfonamide and preparation method and application thereof 山东大学 2022-06-17 CN claimed
CN-109516987-B Preparation method of avibactam intermediate 江西富祥药业股份有限公司 2020-07-24 CN claimed
CN-102993435-B Star copolymer of aniline oligomer and polyethylene glycol and preparation method thereof UNIV BEIHANG 2014-08-27 CN claimed
CN-102993435-A Star copolymer of aniline oligomer and polyethylene glycol and preparation method thereof UNIV BEIHANG 2013-03-27 CN claimed
CN-109897088-B Phenylalanine derivative containing N- (2-oxoethyl) benzene sulfonamide and preparation method and application thereof 山东大学 2022-06-17 CN disclosed
CN-111187188-A Synthesis method of substituted thiophenol 普济生物科技(台州)有限公司 2020-05-22 CN disclosed
CN-104678028-B The pre-treatment of biological original amine neurotransmitters and detection method and detection kit 中国人民解放军军事医学科学院毒物药物研究所 2017-08-15 CN disclosed
CN-106279041-A Phenyl pyrimidine derivative and its production and use 四川思睿博生物科技有限公司 2017-01-04 CN disclosed
EP-2456435-B1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE UNIV LELAND STANFORD JUNIOR (US) 2015-06-24 EP disclosed
CN-102993435-B Star copolymer of aniline oligomer and polyethylene glycol and preparation method thereof UNIV BEIHANG 2014-08-27 CN disclosed
CN-103596925-A Benzocycloheptene acetic acids HOFFMANN LA ROCHE 2014-02-19 CN disclosed
CN-102531978-B Preparation method of thiophenol UNIV ZHEJIANG 2013-12-18 CN disclosed
US-4022674-A Photopolymerizable compounds and compositions comprising the product of the reaction of a monomeric ester and a polycarboxy-substituted benzophenone SUN CHEMICAL CORPORATION (US) 1977-05-10 US disclosed
US-4008138-A Photopolymerizable compounds and compositions comprising the product of the reaction of a monocarboxy-substituted benzophenone with a resin SUN CHEMICAL CORPORATION (US) 1977-02-15 US disclosed
US-4004998-A Photopolymerizable compounds and compositions comprising the product of the reaction of a hydroxy-containing ester and a monocarboxy-substituted benzophenone SUN CHEMICAL CORPORATION (US) 1977-01-25 US disclosed
US-3988228-A Photopolymerizable polymeric compositions containing halogen containing aromatic ketones EASTMAN KODAK COMPANY (US) 1976-10-26 US disclosed
US-3966573-A HALOGENATED HYDROCARBONS, CARBONYL COMPOUNDS, ORGANO-NITROGEN, PHOSPHOROUS, ARSENIC, BISMUTH, OR ANTIMONY COMPOUNDS SUN CHEMICAL CORPORATION (US) 1976-06-29 US disclosed
US-3962056-A MOLDING, COATING EASTMAN KODAK COMPANY (US) 1976-06-08 US disclosed
US-3962055-A MOLDING, COATING EASTMAN KODAK COMPANY (US) 1976-06-08 US disclosed
US-3933682-A Photopolymerization co-initiator systems SUN CHEMICAL CORPORATION (US) 1976-01-20 US disclosed