SCHEMBL6790401

SCHEMBL6790401

Cc1nsc(NC(=O)C(c2ccc3oc(CC(C)(C)C)nc3c2)C(C(=O)O)c2ccc3oc(CC(C)(C)C)nc3c2)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.39
FFAR2 O15552 3/20 0.39
MAOA P21397 1/20 0.36
ADRA1A P35348 1/20 0.36
MAPT P10636 5/20 0.33
GAA P10253 1/20 0.33
CASP3 P42574 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
BUB1 O43683 1/20 0.31
MAPK14 Q16539 1/20 0.30
MEN1 O00255 1/20 0.30
STAT3 P40763 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL5735580 0.90 ACLY (0.39) ACLYFFAR2MAOAADRA1AMAPT
SCHEMBL7994515 0.89 ACLY (0.41) ACLYFFAR2MAOAADRA1AMAPT
SCHEMBL5735982 0.83 MAOA (0.37) ACLYFFAR2MAOAADRA1AMAPT
SCHEMBL5735113 0.80 GAA (0.43) ACLYMAPTGAATP53POLB
SCHEMBL1599472 0.80 ACLY (0.40) ACLYMAPTGAABUB1MEN1
SCHEMBL6790398 0.79 GAA (0.50) ACLYMAPTGAATP53
SCHEMBL7995977 0.79 ACLY (0.39) ACLYMAPTGAATP53POLB
SCHEMBL5736818 0.79 ACLY (0.39) ACLYGAABUB1MEN1KMT2A
SCHEMBL7995986 0.78 MAPT (0.43) MAPTTP53SMN1; SMN2
SCHEMBL5735804 0.76 ACLY (0.37) ACLYMAPTMEN1STAT3KMT2A

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
US-6703347-B2 INSECTICIDES, FUNGICIDES, NEMATOCIDES, MOLLUSCICIDES, AND MITICIDES FOR PLANTS SYNGENTA LIMITED (GB) 2004-03-09 US disclosed
WO-2001055139-A1 ISOTHIAZOLE DERIVATIVES AND THEIR USE AS PESTICIDES SYNGENTA LIMITED (GB) 2001-08-02 WO disclosed