SCHEMBL2232014

SCHEMBL2232014

NC(=O)c1ccc2cccnc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
CASP1 P29466 1/20 0.55
CASP7 P55210 1/20 0.55
AR P10275 1/20 0.52
EGLN1 Q9GZT9 1/20 0.51
HTT P42858 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
NR4A2 P43354 1/20 0.50
RIPK1 Q13546 1/20 0.50
ALOX15 P16050 1/20 0.47
PLK1 P53350 1/20 0.47
CHRNA7 P36544 2/20 0.47
SLC40A1 Q9NP59 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
PARP1 P09874 1/20 0.46

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
SCHEMBL31068033 1.00 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ACASP1CASP7
Hydrochloric Acid SCHEMBL28060868 0.98 MEN1 (0.53) ALDH1A1MEN1KMT2ACASP1CASP7
Quinoline SCHEMBL28125384 0.95 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ACASP1CASP7
Isoquinoline SCHEMBL28216430 0.87 AR (0.47) ALDH1A1MEN1KMT2ACASP1CASP7
SCHEMBL24021437 0.86 HTT (0.64) ALDH1A1MEN1KMT2ACASP1AR
SCHEMBL29845556 0.86 HTT (0.64) ALDH1A1MEN1KMT2ACASP1AR
SCHEMBL249349 0.86 HTT (0.64) ALDH1A1MEN1KMT2ACASP1AR
Quinoline SCHEMBL28128756 0.85 HTT (0.59) ALDH1A1MEN1KMT2ACASP1AR
Hydrochloric Acid SCHEMBL3701824 0.84 HTT (0.62) ALDH1A1MEN1KMT2ACASP1AR
SCHEMBL29406417 0.84 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ACASP1CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4182308-B1 PYRIDAZINYL AMINO DERIVATIVES AS ALK5 INHIBITORS CHIESI FARM SPA (IT) 2024-09-04 EP claimed
CN-109153636-A Cyclopropyl-amide compound as dual LSD1/HDAC inhibitor 朱比连特比利斯有限公司 2019-01-04 CN claimed
CN-108779104-A Noval chemical compound for inhibiting Nampt and the composition comprising it 延世大学校产学协力团 2018-11-09 CN claimed
CN-108430992-A QUINOLINE-3-CARBOXAMIDES AS H-PGDS INHIBITORS 阿斯特克斯医疗公司 2018-08-21 CN claimed
CN-105985335-B Hydroxamic acid compound, preparation method and its usage 成都地奥九泓制药厂 2018-06-08 CN claimed
CN-106458912-A Bicyclic fused heteroaryl or aryl compounds and their use as IRAK4 mimetics 辉瑞公司 2017-02-22 CN claimed
CN-105985335-A Hydroxamic acid compound, preparation method and application thereof 成都地奥九泓制药厂 2016-10-05 CN claimed
CN-103492377-B As the triazolopyridine compounds of PIM kinase inhibitor ARRAY BIOPHARMA INC. (US) 2016-04-20 CN claimed
CN-105384685-A New tertiary 8-hydroxyquinoline-7-carboxamide derivatives and uses thereof POLICHEM SA 2016-03-09 CN claimed
CN-101910168-B Tropane compounds EXELIXIS INC 2014-07-30 CN claimed
CN-101910168-A Tropane compounds EXELIXIS INC 2010-12-08 CN claimed
CN-101429200-A Tricyclic benzopyran compound as anti-arrhythmic agents NISSAN CHEMICAL IND LTD (JP) 2009-05-13 CN claimed
CN-1934116-A Tricyclic benzopyran compounds useful as antiarrhythmic agents NISSAN CHEMICAL IND LTD (JP) 2007-03-21 CN claimed
CN-1867570-A Isothiazoloquinolones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS INC (US) 2006-11-22 CN claimed
WO-2004019933-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO claimed
WO-2004019932-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO claimed
CN-1128790-C 4-hydroxyquinoline-3-carboxamides and hydrazides as antiviral agents UPJOHN CO (US) 2003-11-26 CN claimed
EP-1299387-A1 HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-04-09 EP claimed
WO-2002004445-A1 HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-01-17 WO claimed
CN-1281439-A 4-hydroxyquinoline-3-carboxamide and hydrazide compounds as antiviral agents UPJOHN CO (US) 2001-01-24 CN claimed