SCHEMBL27340100

SCHEMBL27340100

CS(=O)(=O)c1ccc(-c2csc(C#N)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.45
PGR P06401 6/20 0.45
NR3C1 P04150 4/20 0.45
NR3C2 P08235 3/20 0.45
AR P10275 3/20 0.45
LRRK2 Q5S007 3/20 0.41
KIF11 P52732 1/20 0.40
PTGS1 P23219 1/20 0.40

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
SCHEMBL21497120 0.75 PGR (0.43) PGRNR3C1NR3C2ARKIF11
SCHEMBL4190362 0.74 PTGS2 (0.72) PTGS2KIF11
SCHEMBL27363292 0.73 CA2 (0.50) PTGS2
SCHEMBL10300269 0.73 PTGS2 (0.62) PTGS2KIF11PTGS1
SCHEMBL7677302 0.73 PTGS2 (0.62) PTGS2KIF11PTGS1
SCHEMBL27340103 0.72 ALAD (0.61) PTGS2KIF11
SCHEMBL27353969 0.72 PTGS2 (0.50) PTGS2KIF11PTGS1
SCHEMBL27447182 0.72 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL27340099 0.71 AURKA (0.49) PTGS2LRRK2KIF11
Hydrochloric Acid SCHEMBL27363291 0.71 LOX (0.48) PTGS2

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
CN-1059142-A New thiophene derivant FUJISAWA PHARMACEUTICAL CO (JP) 1992-03-04 CN disclosed