SCHEMBL8664968

SCHEMBL8664968

COC(=O)c1ccc(N(C)C(=O)OC)cc1S(=O)(=O)NC(=O)Nc1nc(Cl)cc(OC)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.51
GAA P10253 1/20 0.45
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40
TUBB6 Q9BUF5 1/20 0.40
TUBB2B Q9BVA1 1/20 0.40
TUBB1 Q9H4B7 1/20 0.40
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL8806109 0.85 CDK1 (0.44) CDK1GAAKDM4ENPC1MAPT
SCHEMBL9197645 0.85 CDK1 (0.55) CDK1GAACYP1A2TP53GLA
SCHEMBL5847235 0.83 CDK1 (0.54) CDK1GAAALDH1A1KDM4ENPC1
SCHEMBL5847237 0.83 CDK1 (0.54) CDK1GAAALDH1A1KDM4ENPC1
SCHEMBL8660204 0.83 CDK1 (0.43) CDK1GAATUBB4ATUBBTUBA3C
SCHEMBL9080269 0.83 CDK1 (0.62) CDK1GAATUBB4ATUBBTUBA3C
SCHEMBL10341393 0.82 GAA (0.52) CDK1GAAALDH1A1SMN1; SMN2KDM4E
SCHEMBL9202913 0.81 CDK1 (0.55) CDK1GAACYP1A2TP53GLA
SCHEMBL11385667 0.78 CDK1 (0.57) CDK1GAAALDH1A1SMN1; SMN2KDM4E
SCHEMBL9387441 0.78 GAA (0.52) CDK1GAACYP1A2TP53GLA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5723409-A Intermediates for the preparation of phenylsulfonylurea herbicides and plant growth regulators HOECHST SCHERING AGREVO GMBH (DE) 1998-03-03 US disclosed
US-5449812-A Substituted benzenesulfonamide derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1995-09-12 US disclosed
EP-0666852-A1 NEW PHENYLSULPHONYL UREAS, THEIR PREPARATION AND THEIR USE AS HERBICIDES AND PLANT-GROWTH REGULATORS. HOECHST SCHERING AGREVO GMBH (DE) 1995-08-16 EP disclosed
WO-1994010154-A1 NEW PHENYLSULPHONYL UREAS, THEIR PREPARATION AND THEIR USE AS HERBICIDES AND PLANT-GROWTH REGULATORS HOECHST SCHERING AGREVO GMBH (DE) 1994-05-11 WO disclosed