SCHEMBL9256794

SCHEMBL9256794

OCCCCCCc1nccs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.41
TLR7 Q9NYK1 2/20 0.37
CES1 P23141 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
COPS5 Q92905 1/20 0.35
PLA2G4A P47712 2/20 0.34
HSD17B10 Q99714 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
NOS1 P29475 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CYP2D6 P10635 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
FLT3 P36888 1/20 0.32
TYRO3 Q06418 1/20 0.32
MERTK Q12866 1/20 0.32
GAS6 Q14393 1/20 0.32
FBP1 P09467 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
SCHEMBL7275156 1.00 FDPS (0.41) FDPSTLR7CES1SIGMAR1COPS5
SCHEMBL2089915 0.98 FDPS (0.42) FDPSTLR7CES1SIGMAR1COPS5
SCHEMBL735969 0.92
SCHEMBL841789 0.83
Hydrochloric Acid SCHEMBL3939821 0.81
Bromide SCHEMBL3960568 0.81
SCHEMBL4584005 0.80 PLA2G4A (0.43) FDPSTLR7PLA2G4AALDH1A1FBP1
SCHEMBL1586619 0.80 FDPS (0.37) FDPSCES1SIGMAR1PLA2G4AHSD17B10
SCHEMBL7763977 0.80 ALDH1A1 (0.38) FDPSCES1SIGMAR1PLA2G4AHSD17B10
SCHEMBL4584899 0.80 PLA2G4A (0.43) FDPSTLR7PLA2G4AALDH1A1FBP1

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
WO-1995029904-A1 SUBSTITUTED THIAZOLE SULFONAMIDES AS ANTIGLAUCOMA AGENTS ALLERGAN (US) 1995-11-09 WO disclosed