SCHEMBL8780795

SCHEMBL8780795

CCSc1ccc(NC)cc1S(=O)(=O)NC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 5/20 0.36
HTT P42858 1/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK1 P28482 1/20 0.35
CCR2 P41597 1/20 0.34
NSD2 O96028 2/20 0.33
PARG Q86W56 2/20 0.33
NAMPT P43490 1/20 0.31
CNR1 P21554 1/20 0.31

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
SCHEMBL8780812 0.87 ALDH1A1 (0.37) ALDH1A1MAPTSMN1; SMN2LMNAHTT
SCHEMBL8603091 0.85 ALDH1A1 (0.35) ALDH1A1MAPTSMN1; SMN2LMNAHTT
SCHEMBL8606043 0.81 NSD2 (0.40) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL8780846 0.78 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2LMNAHTT
SCHEMBL6737493 0.77 NSD2 (0.44) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL8536233 0.77 TBXA2R (0.47) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL8780764 0.74 ACLY (0.37) ALDH1A1MAPTSMN1; SMN2LMNAHTT
SCHEMBL8661923 0.69 CDK1 (0.43) ALDH1A1MAPTSMN1; SMN2HPGDKDM4E
SCHEMBL6738181 0.67 MAPT (0.40) ALDH1A1MAPTSMN1; SMN2LMNAHTT
SCHEMBL28000084 0.66 AOC3 (0.36)

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-0790985-A1 N-ACYL-N-ALKYLAMINO PHENYL SULPHONYL UREAS WITH SULPHUR SUBSTITUENTS, PROCESS FOR THEIR PRODUCTION AND USE AS HERBICIDES AND PLANT GROWTH REGULATORS Hoechst Schering AgrEvo GmbH (DE) 1997-08-27 EP disclosed
WO-1996014304-A1 N-ACYL-N-ALKYLAMINO PHENYL SULPHONYL UREAS WITH SULPHUR SUBSTITUENTS, PROCESS FOR THEIR PRODUCTION AND USE AS HERBICIDES AND PLANT GROWTH REGULATORS HOECHST SCHERING AGREVO GMBH (DE) 1996-05-17 WO disclosed