SCHEMBL7679850

SCHEMBL7679850

CCC(=O)Nc1ccc(C(=O)N(C)C)c(S(=O)(=O)NC(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
ATAD2 Q6PL18 2/20 0.43
CYP3A4 P08684 2/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 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
SCHEMBL7686634 0.85 CDK1 (0.46) ALDH1A1MAPTMEN1POLBKMT2A
SCHEMBL7683635 0.85 CA1 (0.54) ATMATAD2CYP3A4ALDH1A1MAPT
SCHEMBL8587081 0.82 ATM (0.43) ATMATAD2CYP3A4ALDH1A1MAPT
SCHEMBL7688335 0.81 CDK1 (0.57) CYP3A4ALDH1A1MAPTRAB9AMEN1
SCHEMBL7683864 0.78 NSD2 (0.39) MAPTRAB9AMEN1NPC1KMT2A
SCHEMBL6107089 0.76 CDK1 (0.75) MAPTCYP1A2KMT2ACDK1GSTO1
SCHEMBL7924891 0.75 ALDH1A1 (0.36) ALDH1A1MAPTRAB9AMEN1NPC1
SCHEMBL2979899 0.75 CDK1 (0.74) ATMMAPTMEN1CYP1A2POLB
SCHEMBL2979898 0.75 CDK1 (0.74) MAPTCYP1A2KMT2ACDK1GSTO1
SCHEMBL8804447 0.74 MEN1 (0.44) MAPTRAB9AMEN1NPC1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6498253-B1 Acylated aminophenylsulfonylureas, processes for their preparation and their use as herbicides and plant growth regulators HOECHST SCHERING AGREVO GMBH (DE) 2002-12-24 US disclosed
US-5922646-A PRE-EMERGENCE AND POST-EMERGENCE HERBICIDES HOECHST SCHERING AGREVO GMBH (DE) 1999-07-13 US disclosed
EP-0757679-B1 ACYLATED AMINOPHENYLSULPHONYLUREAS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND PLANT-GROWTH REGULATORS HOECHST SCHERING AGREVO GMBH (DE) 1998-10-21 EP disclosed
EP-0757679-A1 ACYLATED AMINOPHENYLSULPHONYLUREAS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND PLANT-GROWTH REGULATORS Hoechst Schering AgrEvo GmbH (DE) 1997-02-12 EP disclosed
WO-1995029899-A1 ACYLATED AMINOPHENYLSULPHONYLUREAS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND PLANT-GROWTH REGULATORS HOECHST SCHERING AGREVO GMBH (DE) 1995-11-09 WO disclosed