SCHEMBL580840

SCHEMBL580840

N#Cc1cccc(CN)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 3/20 0.61
GLA P06280 1/20 0.50
ENPP2 Q13822 2/20 0.48
PNMT P11086 1/20 0.48
CYP19A1 P11511 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.45
MEP1A Q16819 1/20 0.45
MEP1B Q16820 1/20 0.45
ADRA2C P18825 1/20 0.45
KLKB1 P03952 1/20 0.44
KLK1 P06870 1/20 0.44
ALDH1A1 P00352 1/20 0.43
KDM1A O60341 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
KIF11 P52732 1/20 0.42
LMNA P02545 1/20 0.42

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
Water SCHEMBL5709133 1.00 LOXL2 (0.61) LOXL2GLAENPP2PNMTCYP19A1
SCHEMBL30358086 1.00 LOXL2 (0.61) LOXL2GLAENPP2PNMTCYP19A1
Hydrochloric Acid SCHEMBL2326110 0.98 LOXL2 (0.59) LOXL2GLAENPP2PNMTCYP19A1
Bromide SCHEMBL6433668 0.98 LOXL2 (0.59) LOXL2GLAENPP2PNMTCYP19A1
SCHEMBL20946379 0.88 LOXL2 (0.53) LOXL2ENPP2PNMTADRA2CALDH1A1
Benzonitrile SCHEMBL27675762 0.84 LOXL2 (0.71) LOXL2ADRA2CMAOAMAOBKIF11
Trifluoroacetic Acid SCHEMBL27454622 0.83 FFAR1 (0.48) LOXL2GLAMRGPRX4MEP1AMEP1B
SCHEMBL2004401 0.83 ADRA2C (0.54) LOXL2GLACYP19A1CYP11B1CYP11B2
SCHEMBL30580176 0.83 GLA (0.47) LOXL2GLAENPP2CYP19A1CYP11B1
SCHEMBL2153847 0.82 HRH3 (0.59) GLAENPP2CYP19A1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119899184-A Beta-carboline compound, preparation method thereof and application thereof in resisting Alzheimer disease 中国人民解放军北部战区总医院 2025-04-29 CN claimed
CN-119499685-A Continuous rectification device and method for m-xylylenediamine crude product 苏利(宁夏)新材料科技有限公司 2025-02-25 CN claimed
CN-110234630-B Phenylimidazolines having aminomethyl groups Compound or salt thereof and process for producing the same 三菱瓦斯化学株式会社 2023-02-03 CN claimed
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
CN-110183435-A A kind of oxazole class drug molecule and preparation method thereof for hospital's sterilization 河南科技大学第一附属医院 2019-08-30 CN claimed
EP-3030554-B1 PIPERIDINE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2018-02-28 EP claimed
EP-2681215-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-04-22 EP claimed
CN-102753604-B Polyamine and method for producing the same RHODIA OPERATIONS 2015-01-21 CN claimed
US-8853457-B2 Polyamine and method for producing thereof RHODIA OPERATIONS (FR) 2014-10-07 US claimed
US-20130123542-A1 POLYAMINE AND METHOD FOR PRODUCING THEREOF RHODIA OPERATIONS (FR) 2013-05-16 US claimed
EP-2522688-A1 POLYAMINE AND METHOD FOR PRODUCING THE SAME Rhodia Operations (FR) 2012-11-14 EP claimed
CN-102753604-A Polyamine and method for producing the same RHODIA OPERATIONS 2012-10-24 CN claimed
CN-1483016-A Method for producing amines by catalytic hydrogenation of nitrites or imines �������¹ɷ����޹�˾ 2004-03-17 CN claimed
US-6649799-B2 Catalytic hydrogenation using a Raney catalyst in the form of hollow bodies; hexamethylenediamine from adiponitrile DEGUSSA AG (DE) 2003-11-18 US claimed
EP-1004574-B1 Process for producing cyanobenzyl compounds SHOWA DENKO KK (JP) 2003-03-19 EP claimed
US-20020173676-A1 Method for producing primary and secondary amines by hydrogenation of nitriles and imines DEGUSSA AG (DE) 2002-11-21 US claimed
US-6262292-B1 FORMING CYANAOBENZALDEHYDE BY OXIDATION OF CYANOBENZYLAMINE SHOWA DENKO K.K. (JP) 2001-07-17 US claimed
EP-1083165-A1 PROCESSES FOR PRODUCING CYANOPHENYL DERIVATIVES Showa Denko Kabushiki Kaisha (JP) 2001-03-14 EP claimed
US-6187945-B1 TRANSFORMING AN AMINOMETHYL GROUP OF A CYANOBENZYLAMINE COMPOUND INTO A HYDROXYMETHYL GROUP, A HALOMETHYL GROUP, OR AN ACYLOXYMETHYL GROUP BY DIAZOTIZATION AND HYDROXYLATION, HALOGENATION OR ACYLATION SHOWA DENKO K.K. (JP) 2001-02-13 US claimed
EP-1004574-A1 Process for producing cyanobenzyl compounds Showa Denko Kabushiki Kaisha (JP) 2000-05-31 EP claimed