SCHEMBL13469112

SCHEMBL13469112

CCc1csnc1C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.43
L3MBTL1 Q9Y468 3/20 0.41
KDM4E B2RXH2 4/20 0.37
HIF1A Q16665 2/20 0.37
STAT3 P40763 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 2/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 2/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4C Q9H3R0 1/20 0.33

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
SCHEMBL13469118 0.84 KDM4E (0.43) KDM4EMAPTCA12CA1CA2
SCHEMBL6420080 0.82 NPSR1 (0.37) NPSR1L3MBTL1KDM4EHIF1ASTAT3
SCHEMBL13226874 0.79 TDP1 (0.52) L3MBTL1KDM4ETDP1MAPTKMT2A
SCHEMBL31319640 0.77 NPSR1 (0.46) NPSR1L3MBTL1KDM4EHIF1ASTAT3
SCHEMBL12263255 0.77 NPSR1 (0.46) NPSR1L3MBTL1KDM4EHIF1ASTAT3
SCHEMBL109707 0.77 NPSR1 (0.46) NPSR1L3MBTL1KDM4EHIF1ASTAT3
SCHEMBL19691191 0.77 TDP1 (0.41) TDP1KMT2AMEN1ALDH1A1HSD17B10
SCHEMBL6422368 0.76 NPSR1 (0.45) NPSR1L3MBTL1KDM4EHIF1ASTAT3
SCHEMBL27912113 0.76 NPSR1 (0.45) NPSR1L3MBTL1KDM4EHIF1ASTAT3
SCHEMBL3614725 0.76 TDP1 (0.58) NPSR1L3MBTL1KDM4EHIF1ASTAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012139891-A1 SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS BAYER CROPSCIENCE AG (DE) 2012-10-18 WO disclosed