SCHEMBL7468005

SCHEMBL7468005

Cc1csc(C(=O)OC(C)C)c1OS(=O)(=O)Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 2/20 0.34
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 2/20 0.33
CA12 O43570 4/20 0.32
CA1 P00915 4/20 0.32
CA2 P00918 4/20 0.32
CA9 Q16790 4/20 0.32
COMT P21964 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 1/20 0.32
HTR1A P08908 1/20 0.32
SCN1A P35498 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL7471026 0.86 COMT (0.34) ALDH1A1HPGDLMNAPOLBKDM4E
SCHEMBL8559545 0.86 CA12 (0.34) ALDH1A1HPGDLMNAPOLBMAPT
SCHEMBL7470076 0.84 MAPK8 (0.33) ALDH1A1HPGDLMNAPOLBMAPT
SCHEMBL7478305 0.84 COMT (0.34) ALDH1A1HPGDLMNACA12CA1
SCHEMBL7465050 0.84 KMT2A (0.46) LMNAPOLBMAPTKMT2AKDM4E
SCHEMBL7471165 0.83 PRKCI (0.37) ALDH1A1HPGDLMNAMAPTKDM4E
SCHEMBL7473950 0.82 LMNA (0.32) ALDH1A1HPGDLMNANPSR1CA12
SCHEMBL7471650 0.81 ADORA2B (0.31) ALDH1A1HPGDLMNACA12CA1
SCHEMBL7466240 0.81 MAPT (0.39) ALDH1A1LMNAPOLBMAPTKMT2A
SCHEMBL7472825 0.80 ALDH1A1 (0.30) ALDH1A1HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0859774-B1 SUBSTITUTED SULPHONYLAMINO (THIO)CARBONYL COMPOUNDS AS HERBICIDES BAYER AG (DE) 2002-04-03 EP disclosed
EP-0859774-A1 SUBSTITUTED SULPHONYLAMINO (THIO)CARBONYL COMPOUNDS AS HERBICIDES BAYER AG (DE) 1998-08-26 EP disclosed
WO-1997016449-A1 SUBSTITUTED SULPHONYLAMINO (THIO)CARBONYL COMPOUNDS AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-05-09 WO disclosed