SCHEMBL9530823

SCHEMBL9530823

COc1ccc(-c2nn(C)c([S+](C)[O-])c2Cl)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
AMY1A P0DUB6 3/20 0.38
PDE10A Q9Y233 1/20 0.38
KDM4E B2RXH2 4/20 0.37
POLB P06746 2/20 0.37
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
SLC34A1 Q06495 2/20 0.35
PKM P14618 1/20 0.34
CYP17A1 P05093 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
PDE2A O00408 1/20 0.34
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAG3 Q9UGI9 1/20 0.33
PRKAG2 Q9UGJ0 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
SCHEMBL9532209 0.78 AMY1A (0.39) PTGS1PTGS2AMY1APDE10AKDM4E
SCHEMBL8471677 0.76 AMY1A (0.38) PTGS1PTGS2AMY1APDE10AKDM4E
SCHEMBL9530825 0.76 PTGS1 (0.47) PTGS1PTGS2AMY1APDE10AKDM4E
SCHEMBL13874013 0.69 THRB (0.41) PTGS1PTGS2AMY1AKDM4EPOLB
SCHEMBL20924977 0.68 ERN1 (0.43) PTGS1PTGS2AMY1AKDM4EPOLB
SCHEMBL1682483 0.67 ERN1 (0.42) PTGS1PTGS2AMY1AKDM4EPOLB
SCHEMBL1682501 0.67 USP8 (0.37) AMY1APDE10AKDM4EPOLBALDH1A1
SCHEMBL10340365 0.66 AMY1A (0.50) AMY1AALDH1A1MAPTPRKAB2PRKAG1
SCHEMBL8474290 0.64 ERN1 (0.41) AMY1AKDM4EPOLBALDH1A1PDE2A
SCHEMBL13184428 0.64 SLC34A1 (0.53) PDE10AKDM4EPOLBALDH1A1SLC34A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0542872-A1 HERBICIDAL SUBSTITUTED ARYL ALKYLSULFONYL PYRAZOLES MONSANTO COMPANY (US) 1993-05-26 EP disclosed