(Chloromethyl)Benzene

(Chloromethyl)Benzene

SCHEMBL2480110

C=C(CCN(C)C)C(=O)O.C=CC(N)=O.ClCc1ccccc1

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
UBE2N P61088 1/20 0.39
EGFR P00533 7/20 0.37
TAAR1 Q96RJ0 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
HTT P42858 1/20 0.33
UTS2R Q9UKP6 1/20 0.33
HRH1 P35367 1/20 0.33
CHRM1 P11229 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
(Chloromethyl)Benzene SCHEMBL130258 0.91 UBE2N (0.44) UBE2NEGFRTAAR1NPC1RAB9A
(Chloromethyl)Benzene SCHEMBL28164356 0.89 UBE2N (0.43) UBE2NEGFRTAAR1NPC1RAB9A
Acrylamide SCHEMBL6987827 0.83 ALDH1A1 (0.38) ALDH1A1
Acrylamide SCHEMBL6895671 0.83 ALDH1A1 (0.41) ALDH1A1TDP1
Benzylamine SCHEMBL28369843 0.78 UBE2N (0.47) UBE2NEGFRTAAR1NPC1RAB9A
Styrene SCHEMBL4405050 0.78 ALDH1A1 (0.45) UBE2NEGFRHTTALDH1A1CYP3A4
Acrylamide SCHEMBL5201626 0.78 EGFR (0.45) UBE2NEGFRALDH1A1
Acrylamide SCHEMBL11194918 0.75 ALDH1A1 (0.35) ALDH1A1
Acrylamide SCHEMBL9695774 0.74 ALDH1A1 (0.38) ALDH1A1TDP1
Acrylic Acid SCHEMBL4974401 0.74 ALOX15 (0.50) EGFRALDH1A1TDP1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376290-B1 INKJET PRINTING PAPER NALCO CO (US) 2013-06-26 EP claimed
US-20100159164-A1 INKJET PRINTING PAPER ECOLAB USA INC. 2010-06-24 US claimed
US-8992688-B2 Lignin separation from lignocellulosic hydrolizates and acidified pulp mill liquors ECOLAB USA INC. (US) 2015-03-31 US disclosed
US-20140251318-A1 LIGNIN SEPARATION FROM LIGNOCELLULOSIC HYDROLIZATES AND ACIDIFIED PULP MILL LIQUORS ECOLAB USA INC. (US) 2014-09-11 US disclosed
EP-2376290-B1 INKJET PRINTING PAPER NALCO CO (US) 2013-06-26 EP disclosed
EP-2376290-A1 INKJET PRINTING PAPER Nalco Company (US) 2011-10-19 EP disclosed
WO-2010071797-A1 INKJET PRINTING PAPER NALCO COMPANY (US) 2010-06-24 WO disclosed
US-20100159164-A1 INKJET PRINTING PAPER ECOLAB USA INC. 2010-06-24 US disclosed