SCHEMBL6200616

SCHEMBL6200616

CCCCC(CNC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.64
GAA P10253 1/20 0.64
KMT2A Q03164 1/20 0.64
CTSK P43235 9/20 0.51
CTSS P25774 2/20 0.51
CA2 P00918 2/20 0.50
MAPK1 P28482 1/20 0.50
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
CA1 P00915 2/20 0.43
CA12 O43570 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL6200619 1.00 MEN1 (0.64) MEN1GAAKMT2ACTSKCTSS
SCHEMBL13109032 0.94 MEN1 (0.60) MEN1GAAKMT2ACTSKCTSS
SCHEMBL17079761 0.94 MEN1 (0.60) MEN1GAAKMT2ACTSKCTSS
SCHEMBL3396578 0.92 MEN1 (0.61) MEN1GAAKMT2ACTSKCTSS
SCHEMBL13109049 0.92 MEN1 (0.61) MEN1GAAKMT2ACTSKCTSS
SCHEMBL13109033 0.92 MEN1 (0.61) MEN1GAAKMT2ACTSKCTSS
SCHEMBL1274536 0.86 MEN1 (0.66) MEN1GAAKMT2ACTSKCTSS
SCHEMBL17150407 0.86 MEN1 (0.77) MEN1GAAKMT2ACTSKCTSS
SCHEMBL27594927 0.85 MEN1 (0.71) MEN1GAAKMT2ACTSKCTSS
SCHEMBL25407355 0.85 MEN1 (0.60) MEN1GAAKMT2ACTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107567438-A Riluzole prodrug and application thereof 拜尔哈文制药股份有限公司 2018-01-09 CN disclosed
CN-1202096-C 2-aminothiazoline derivatives and their use as no-synthase inhibitors AVENTIS PHARMA SA (FR) 2005-05-18 CN disclosed
EP-1165532-B1 ANTIBACTERIAL AGENTS VERNALIS OXFORD LTD (GB) 2005-01-12 EP disclosed
CN-1444572-A 2-aminothiazoline derivatives and their use as no-synthase inhibitors AVENTIS PHARMA SA (FR) 2003-09-24 CN disclosed
US-6503897-B1 N-Formylhydroxylamine derivatives; veterinary medicine; grampositive and gramnegative bacteria BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2003-01-07 US disclosed
EP-1165532-A1 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2002-01-02 EP disclosed
WO-2000058294-A1 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-10-05 WO disclosed