SCHEMBL2198036

SCHEMBL2198036

NC(=O)C(c1ccccc1)c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CFTR P13569 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A4 P31645 1/20 0.53
SLC6A3 Q01959 1/20 0.53
GOPC Q9HD26 1/20 0.53
TBXAS1 P24557 1/20 0.48
KCNA5 P22460 3/20 0.47
KCNN4 O15554 2/20 0.47
F7 P08709 1/20 0.47
F3 P13726 1/20 0.47
SARM1 Q6SZW1 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.47
SIRT6 Q8N6T7 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
SIRT3 Q9NTG7 1/20 0.47
SIRT5 Q9NXA8 1/20 0.47
SIRT4 Q9Y6E7 1/20 0.47

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
SCHEMBL29937752 1.00 ALDH1A1 (0.55) ALDH1A1HTTSMN1; SMN2CFTRSLC6A2
SCHEMBL362393 0.94 F7 (0.52) ALDH1A1HTTSMN1; SMN2CFTRSLC6A2
SCHEMBL3057993 0.92 MKNK1 (0.50) ALDH1A1HTTSMN1; SMN2CFTRSLC6A2
SCHEMBL4534187 0.85 SMN1; SMN2 (0.58) ALDH1A1HTTSMN1; SMN2CFTRSLC6A2
SCHEMBL2205442 0.83 SLC6A2 (0.54) ALDH1A1HTTSLC6A2SLC6A4SLC6A3
SCHEMBL741751 0.82 MEN1 (0.58) SMN1; SMN2LMNA
SCHEMBL2815738 0.82 ALDH1A1 (0.49) ALDH1A1HTTSMN1; SMN2CFTRSLC6A2
SCHEMBL14284024 0.82 SMN1; SMN2 (0.55) ALDH1A1HTTSMN1; SMN2CFTRSLC6A2
SCHEMBL10634303 0.81 KCNA5 (0.46) ALDH1A1HTTSMN1; SMN2CFTRSLC6A2
SCHEMBL306372 0.81 F7 (0.53) ALDH1A1HTTSMN1; SMN2CFTRSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107001361-A Heteroaryl substituted imidazo [1, 2-a ] pyridines and their use 拜耳医药股份有限公司 2017-08-01 CN claimed
CN-101203495-B Benzocycloheptapyridine compounds as inhibitors of receptor tyrosine kinase MET MERCK SHARP & DOHME 2013-07-17 CN claimed
CN-101203495-A Benzocycloheptapyridine compounds as inhibitors of receptor tyrosine kinase MET MERCK & CO INC (US) 2008-06-18 CN claimed
CN-117820236-A Histone acetyltransferase small molecule inhibitor and preparation method and application thereof 复旦大学 2024-04-05 CN disclosed
EP-4077332-A1 INHIBITORS OF LIN28 AND METHODS OF USE THEREOF The Regents of the University of California (US) 2022-10-26 EP disclosed
WO-2021126779-A1 INHIBITORS OF LIN28 AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-06-24 WO disclosed
EP-3510032-A1 PYRAZOLOPYRIDINE DERIVATIVES AS HPK1 MODULATORS AND USES THEREOF FOR THE TREATMENT OF CANCER Incyte Corporation (US) 2019-07-17 EP disclosed
WO-2018049200-A1 PYRAZOLOPYRIDINE DERIVATIVES AS HPK1 MODULATORS AND USES THEREOF FOR THE TREATMENT OF CANCER INCYTE CORPORATION (US) 2018-03-15 WO disclosed
CN-103958479-B Pyrazoloquinolinone derivatives, preparation thereof and therapeutic use thereof 赛诺菲 2017-06-13 CN disclosed
CN-103012397-B Pyrazolo (E)-3-(3-Acetyl-4-hydroxy-5-methoxy-phenyl)-N-(4-hydroxy-1-methyl-3-octyloxy-2-oxo-1,2-dihydro-quinolin-7-yl)-acrylamide, its preparation method and its therapeutic use 赛诺菲 2017-03-01 CN disclosed
CN-102731499-B Lactam compound and the application as medicine thereof Because of C1-esteraseremmer-N parent corporation (US) 2016-01-13 CN disclosed
CN-101203495-B Benzocycloheptapyridine compounds as inhibitors of receptor tyrosine kinase MET MERCK SHARP & DOHME 2013-07-17 CN disclosed
CN-103087078-A Thienopyridine and furopyridine kinase inhibitors ABBOTT LAB 2013-05-08 CN disclosed
EP-2519522-A2 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ArQule, Inc. (US) 2012-11-07 EP disclosed
WO-2011082270-A2 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ARQULE. INC. (US) 2011-07-07 WO disclosed
CN-102007127-A Furo- and thieno [3,2-c] pyridines OSI PHARM INC 2011-04-06 CN disclosed
WO-2010057833-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-05-27 WO disclosed
CN-101203495-A Benzocycloheptapyridine compounds as inhibitors of receptor tyrosine kinase MET MERCK & CO INC (US) 2008-06-18 CN disclosed
US-6743794-B2 MULTIDRUG RESISTANCE PROTEIN; CANCER; 3-(9-CHLORO-3-METHYL-4-OXO-5H-ISOXAZOLO(4,3-C)QUINOLIN-5-YL)) CYCLOHEXYL)-2-PIPERIDYLACETAMIDE ELI LILLY AND COMPANY 2004-06-01 US disclosed