SCHEMBL4473724

SCHEMBL4473724

Cc1cccc2cs[c]c12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
CYP2A6 P11509 3/20 0.38
CYP1A2 P05177 4/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
TSHR P16473 2/20 0.32
ACHE P22303 1/20 0.32
HPGD P15428 2/20 0.31
HSD17B10 Q99714 2/20 0.31
CYP3A4 P08684 2/20 0.30
TDP1 Q9NUW8 2/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL4463856 0.78 CA2 (0.39) ALDH1A1CYP2A6CA1CA2CA7
SCHEMBL4470786 0.74 CYP1A2 (0.38) CYP2A6CYP1A2CA9TSHR
SCHEMBL5542546 0.74 HSD17B10 (0.32) ALDH1A1CA9HPGDHSD17B10
SCHEMBL4466338 0.74 MPL (0.32) CA9
SCHEMBL2516748 0.70 ALDH1A1 (0.46) ALDH1A1CYP2A6CYP1A2TSHRHPGD
SCHEMBL5539000 0.66 MPL (0.42) CYP3A4L3MBTL1
SCHEMBL4473720 0.65 CYP1A2 (0.44) ALDH1A1CYP2A6CYP1A2CA1CA2
SCHEMBL455151 0.64 ALDH1A1 (0.41) ALDH1A1CYP2A6CYP1A2CA1CA2
SCHEMBL2888919 0.62 CYP2A6 (0.35) ALDH1A1CYP2A6CYP1A2CA1CA2
SCHEMBL4461751 0.62 ALDH1A1 (0.39) ALDH1A1CYP2A6CYP1A2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5401738-A Angiotensin antagonist, hypotensive, aldosteronism, cardiac insufficiency MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER (DE) 1995-03-28 US claimed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-7521454-B2 Adenine derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-04-21 US disclosed
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
EP-1386923-B1 NOVEL ADENINE DERIVATIVES DAINIPPON SUMITOMO PHARMA CO (JP) 2008-08-13 EP disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 CN disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
EP-0300287-A2 Process for the reduction of ketones MERCK PATENT GmbH (DE) 1989-01-25 EP disclosed
EP-0292800-A2 Amino acid derivatives MERCK PATENT GmbH (DE) 1988-11-30 EP disclosed
EP-0286813-A2 Renin-inhibiting amino acid derivatives MERCK PATENT GmbH (DE) 1988-10-19 EP disclosed
EP-0284942-A2 Amino-acid derivatives MERCK PATENT GmbH (DE) 1988-10-05 EP disclosed
US-4766213-A 1,4-dihydropyridines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-08-23 US disclosed
EP-0272444-A2 Renin-inhibiting peptides MERCK PATENT GmbH (DE) 1988-06-29 EP disclosed
EP-0264795-A2 Amino acid derivatives MERCK PATENT GmbH (DE) 1988-04-27 EP disclosed
EP-0262318-A2 Renin-inhibiting amino acid derivatives MERCK PATENT GmbH (DE) 1988-04-06 EP disclosed
EP-0249096-A2 Renin-inhibiting amino acid derivatives MERCK PATENT GmbH (DE) 1987-12-16 EP disclosed
EP-0237695-A2 1,4-Dihydropyridines MERCK PATENT GmbH (DE) 1987-09-23 EP disclosed