SCHEMBL8106622

SCHEMBL8106622

COC(=O)c1cc(C)ccc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.58
CDK1 P06493 1/20 0.53
CYP1A2 P05177 1/20 0.45
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
MAPT P10636 1/20 0.42

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
Methyl Carbamate SCHEMBL5847522 0.87 CDK1 (0.53) GAACDK1CYP1A2KMT2AMEN1
SCHEMBL1405765 0.87 GAA (0.59) GAACDK1CYP1A2KMT2AMEN1
SCHEMBL9724731 0.85 GAA (0.55) GAACDK1CYP1A2TP53GLA
SCHEMBL5848180 0.85 CDK1 (0.58) GAACDK1CYP1A2KMT2AMEN1
SCHEMBL9724767 0.84 GAA (0.54) GAACDK1CYP1A2KMT2AMEN1
SCHEMBL9419172 0.83 GAA (0.52) GAACDK1KMT2AMEN1TP53
SCHEMBL9387441 0.83 GAA (0.52) GAACDK1CYP1A2KMT2AMEN1
SCHEMBL10396567 0.83 GAA (0.54) GAACDK1CYP1A2KMT2AMEN1
SCHEMBL11385667 0.83 CDK1 (0.57) GAACDK1CYP1A2TP53GLA
SCHEMBL7458052 0.82 CDK1 (0.52) GAACDK1CYP1A2KMT2AMEN1

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
EP-0639050-B1 SYNERGISTIC COMPOSITION AND PROCESS FOR SELECTIVE WEED CONTROL NOVARTIS AG (CH) 2000-12-27 EP claimed
EP-0639050-B1 SYNERGISTIC COMPOSITION AND PROCESS FOR SELECTIVE WEED CONTROL NOVARTIS AG (CH) 2000-12-27 EP disclosed