SCHEMBL4175952

SCHEMBL4175952

N#CNS(=O)(=O)C1CC1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL16225535 0.97
SCHEMBL579237 0.69 CTSS (0.30)
SCHEMBL24773688 0.67 CA12 (0.55)
SCHEMBL7687406 0.67 CA1 (0.32)
SCHEMBL21874143 0.65 CA1 (0.36)
SCHEMBL27989275 0.64
SCHEMBL18855930 0.63 CA12 (0.56)
SCHEMBL13646796 0.63
SCHEMBL21815703 0.63
SCHEMBL2227270 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017501-B2 Benzimidazole derivatives as bromodomain inhibitors GILEAD SCIENCES, INC. (US) 2018-07-10 US disclosed
US-10017501-B2 Benzimidazole derivatives as bromodomain inhibitors GILEAD SCIENCES, INC. (US) 2018-07-10 US disclosed
US-20160376261-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. 2016-12-29 US disclosed
US-9527885-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-27 US disclosed
EP-2909205-B1 9-METHYL SUBSTITUTED HEXADECAHYDROCYCLOPROPA(E)PYRROLO(1,2-A)(1,4)DIAZACYCLOPENTADECINYL CARBAMATE DERIVATIVES AS NON-STRUCTURAL 3 (NS3) PROTEASE INHIBITORS FOR THE TREATMENT OF HEPATITIS C VIRUS INFECTIONS BRISTOL MYERS SQUIBB CO (US) 2016-11-23 EP disclosed
US-9499550-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-11-22 US disclosed
EP-2705049-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-10-19 EP disclosed
US-9458145-B2 Benzimidazole derivatives as bromodomain inhibitors GILEAD SCIENCES, INC. (US) 2016-10-04 US disclosed
US-9458145-B2 Benzimidazole derivatives as bromodomain inhibitors GILEAD SCIENCES, INC. (US) 2016-10-04 US disclosed
US-20160075695-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. (US) 2016-03-17 US disclosed
EP-2909205-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2015-08-26 EP disclosed
US-20150125422-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-05-07 US disclosed
US-8957203-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-02-17 US disclosed
US-20140336190-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. (US) 2014-11-13 US disclosed
US-20140336190-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. (US) 2014-11-13 US disclosed
WO-2014062196-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-04-24 WO disclosed
EP-2705049-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2014-03-12 EP disclosed
US-20130115190-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2013-05-09 US disclosed
WO-2012151195-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-08 WO disclosed
WO-2009014730-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2009-01-29 WO disclosed