SCHEMBL9532209

SCHEMBL9532209

COc1ccc(-c2nn(C)c(SC)c2Cl)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 3/20 0.39
PDE10A Q9Y233 1/20 0.39
CYP17A1 P05093 3/20 0.38
CYP11B1 P15538 3/20 0.38
CYP11B2 P19099 3/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36
SLC34A1 Q06495 2/20 0.36
PDGFRB P09619 1/20 0.35
ERN1 O75460 1/20 0.35
PDE2A O00408 1/20 0.35
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34

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
SCHEMBL8626557 0.84 HSD11B1 (0.38) POLBSLC34A1PDE2A
SCHEMBL9530825 0.78 PTGS1 (0.47) AMY1APDE10ACYP17A1CYP11B1CYP11B2
SCHEMBL9530823 0.78 PTGS1 (0.38) AMY1APDE10ACYP17A1CYP11B1CYP11B2
SCHEMBL8471677 0.78 AMY1A (0.38) AMY1APDE10ACYP17A1CYP11B1CYP11B2
SCHEMBL8623347 0.74 SLC34A1 (0.31) SLC34A1
SCHEMBL8031860 0.72 HSD11B1 (0.40) SLC34A1PDE2ACRHR1
SCHEMBL9530449 0.72 RXFP1 (0.40) AMY1APTGS1PTGS2KDM4EPOLB
SCHEMBL7514581 0.71 HSD11B1 (0.36) POLBPDE2A
SCHEMBL13874013 0.70 THRB (0.41) AMY1APTGS1PTGS2KDM4EPOLB
SCHEMBL14039836 0.70 MAPK14 (0.43) POLBSLC34A1

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-0542872-A1 HERBICIDAL SUBSTITUTED ARYL ALKYLSULFONYL PYRAZOLES MONSANTO COMPANY (US) 1993-05-26 EP disclosed
WO-1992002509-A1 HERBICIDAL SUBSTITUTED ARYL ALKYLSULFONYL PYRAZOLES MONSANTO COMPANY (US) 1992-02-20 WO disclosed