SCHEMBL13615126

SCHEMBL13615126

COc1cccc2c1C(NC(=O)Oc1ccccc1)=NS2(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.45
POLB P06746 1/20 0.44
ALDH1A1 P00352 7/20 0.43
GAA P10253 4/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 5/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 3/20 0.40
THRB P10828 1/20 0.40
GFER P55789 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP1A2 P05177 1/20 0.40
HPGD P15428 2/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL2570228 0.82 DYRK1A (0.42) KMT2AALDH1A1GAASMN1; SMN2MEN1
SCHEMBL12303025 0.78 KMT2A (0.51) KMT2APOLBALDH1A1SMN1; SMN2MEN1
SCHEMBL12292136 0.75 HSD17B10 (0.44) KMT2APOLBALDH1A1GAAMEN1
SCHEMBL12292139 0.71 HSD17B10 (0.41) KMT2APOLBALDH1A1SMN1; SMN2MEN1
SCHEMBL13615001 0.70 TSHR (0.42) POLBALDH1A1GAAHTTSMN1; SMN2
SCHEMBL11176848 0.70 KMT2A (0.72) KMT2APOLBALDH1A1GAAHTT
SCHEMBL12292142 0.70 HSD17B10 (0.40) KMT2APOLBALDH1A1GAAMEN1
SCHEMBL31154113 0.69 HSD17B10 (0.49) KMT2APOLBALDH1A1GAAHTT
SCHEMBL4385529 0.68 HPGD (0.44) KMT2AHTTSMN1; SMN2MEN1HSD17B10
SCHEMBL13615748 0.68 LMNA (0.56) KMT2APOLBALDH1A1GAASMN1; SMN2

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-2009141065-A2 (1,2-BENZISOTHIAZOL-3-YL)(THIO)CARBAMATES AND (1,2-BENZISOTHIAZOL-3-YL)(THIO)OXAMATES AND THE OXIDATION FORMS THEREOF FOR USE AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2009-11-26 WO disclosed