SCHEMBL9529913

SCHEMBL9529913

CCOC(=O)c1ccc(NN2C(=O)C(C)=C(C)C2=O)cc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.53
GAA P10253 1/20 0.45
JUN P05412 2/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
FOS P01100 1/20 0.38
MAPT P10636 3/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
TP53 P04637 1/20 0.35
GLA P06280 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
USP2 O75604 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
SCHEMBL8535615 0.84 CDK1 (0.74) CDK1GAAMAPTKDM4EALDH1A1
SCHEMBL9284934 0.82 CDK1 (0.52) CDK1GAAMAPTKDM4EALDH1A1
SCHEMBL10519893 0.79 GAA (0.50) CDK1GAAMAPTKDM4EALDH1A1
SCHEMBL8534243 0.77 CDK1 (0.71) CDK1GAAMAPTTP53GLA
SCHEMBL8782215 0.77 CDK1 (0.62) CDK1GAAMAPTTP53GLA
SCHEMBL5846414 0.77 CDK1 (0.62) CDK1GAAMAPTKDM4EALDH1A1
SCHEMBL10396053 0.77 CDK1 (0.62) CDK1GAAMAPTTP53GLA
SCHEMBL6912875 0.76 CDK1 (0.73) CDK1GAAMAPTALDH1A1SMN1; SMN2
SCHEMBL9530201 0.76 CA1 (0.44) JUNNFKB1NFKB2RELAFOS
SCHEMBL5847785 0.76 CDK1 (0.61) CDK1GAAMAPTKDM4EALDH1A1

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
EP-0384602-B1 N-substituted-3-[(2,3-dimethylmaleimido) amino]-benzenesulfonamide derivatives, preparation process thereof and herbicidal compositions KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1993-08-04 EP disclosed