SCHEMBL7978075

SCHEMBL7978075

Cc1nsc(SNC(=O)Cc2ccc3oc(CC(C)(C)C)nc3c2)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
ACLY P53396 1/20 0.39
MAPT P10636 4/20 0.35
POLB P06746 1/20 0.35
TP53 P04637 2/20 0.35
KDR P35968 2/20 0.35
P2RY14 Q15391 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MEN1 O00255 1/20 0.33
STAT3 P40763 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPSE Q9Y251 1/20 0.33
THRB P10828 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
SCHEMBL5735113 0.84 GAA (0.43) GAAACLYMAPTPOLBTP53
SCHEMBL6790398 0.81 GAA (0.50) GAAACLYMAPTTP53KDR
SCHEMBL7993931 0.78 GAA (0.41) GAAMAPTPOLBTP53KDR
SCHEMBL8001808 0.77 GAA (0.42) GAAMAPTTP53KDRP2RY14
SCHEMBL7995977 0.77 ACLY (0.39) GAAACLYMAPTPOLBTP53
SCHEMBL7983540 0.77 GAA (0.40) GAAMAPTPOLBTP53KDR
SCHEMBL7994270 0.76 GAA (0.39) GAAMAPTPOLBTP53KDR
SCHEMBL6245104 0.74 GAA (0.41) GAAACLYMAPTPOLBTP53
SCHEMBL7972175 0.74 GAA (0.59) GAAACLYMAPTPOLBTP53
SCHEMBL7994435 0.73 GAA (0.37) GAAMAPTPOLBTP53KDR

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-2001055142-A1 ISOTHIAZOLE DERIVATIVES AND THEIR USE AS PESTICIDES SYNGENTA LIMITED (GB) 2001-08-02 WO disclosed