SCHEMBL8780846

SCHEMBL8780846

CCS(=O)(=O)c1ccc(NC)cc1S(=O)(=O)NC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 5/20 0.38
HPGD P15428 3/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 1/20 0.38
MAPK1 P28482 1/20 0.38
NSD2 O96028 2/20 0.36
PARG Q86W56 2/20 0.35
HTT P42858 1/20 0.33
NAMPT P43490 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL8537785 0.86 ALDH1A1 (0.40) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL8602857 0.84 ALDH1A1 (0.38) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL8539651 0.80 ALDH1A1 (0.35) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL8536463 0.79 NSD2 (0.43) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL8536525 0.79 SMN1; SMN2 (0.44) ALDH1A1MAPTSMN1; SMN2LMNAMEN1
SCHEMBL8780795 0.78 ALDH1A1 (0.38) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL8534729 0.76 NSD2 (0.49) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL8541216 0.75 TBXA2R (0.43) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL8661923 0.72 CDK1 (0.43) ALDH1A1MAPTSMN1; SMN2HPGDKDM4E
SCHEMBL8780963 0.72 ACLY (0.39) ALDH1A1MAPTSMN1; SMN2LMNAHPGD

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