SCHEMBL4711989

SCHEMBL4711989

CCNc1cccc2sc(=O)n(CC)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 1/20 0.40
CASP1 P29466 1/20 0.40
BRCA1 P38398 1/20 0.40
CASP7 P55210 1/20 0.40
GAA P10253 2/20 0.39
L3MBTL1 Q9Y468 6/20 0.37
ALDH1A1 P00352 5/20 0.37
TDP1 Q9NUW8 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
HSD17B10 Q99714 2/20 0.35
TSHR P16473 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TP53 P04637 3/20 0.35
MAPK1 P28482 2/20 0.35
MAPT P10636 1/20 0.35
CDK4 P11802 1/20 0.34

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
SCHEMBL16713403 0.76 L3MBTL1 (0.38) MEN1KMT2AUSP2GAAL3MBTL1
SCHEMBL12549725 0.76 L3MBTL1 (0.38) MEN1KMT2AGAAL3MBTL1ALDH1A1
SCHEMBL10816228 0.76 L3MBTL1 (0.41) MEN1KMT2AGAAL3MBTL1ALDH1A1
SCHEMBL12549880 0.73 HSD17B10 (0.46) GAAL3MBTL1ALDH1A1TDP1SMN1; SMN2
SCHEMBL12549883 0.72 MAPT (0.42) MEN1KMT2AUSP2CASP1CASP7
SCHEMBL7651483 0.72 GAA (0.37) MEN1KMT2AUSP2GAAL3MBTL1
SCHEMBL513356 0.68 L3MBTL1 (0.64) GAAL3MBTL1ALDH1A1TDP1SMN1; SMN2
SCHEMBL25122976 0.65 MEN1 (0.51) MEN1KMT2AUSP2CASP1BRCA1
SCHEMBL4711987 0.65 L3MBTL1 (0.35) MEN1KMT2AGAAL3MBTL1ALDH1A1
SCHEMBL11319011 0.65 TP53 (0.46) GAAL3MBTL1TDP1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1996566-A1 BEZOTHIAZOL DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS AstraZeneca AB (SE) 2008-12-03 EP claimed
WO-2007106016-A1 BEZOTHIAZOL DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2007-09-20 WO claimed