SCHEMBL3246495

SCHEMBL3246495

CS(=O)(=O)c1ccc(-c2[nH]c(-c3ccc(Cl)cc3)nc2CSc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.50
PTGS1 P23219 6/20 0.50
FAAH O00519 1/20 0.45
KCNH2 Q12809 1/20 0.45
SCD O00767 1/20 0.44

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
SCHEMBL8552621 0.81 PTGS2 (0.55) PTGS2PTGS1SCD
SCHEMBL7089544 0.80 PTGS2 (0.61) PTGS2PTGS1FAAHKCNH2
SCHEMBL8796825 0.80 PTGS2 (0.54) PTGS2PTGS1SCD
SCHEMBL8556092 0.77 PTGS2 (0.51) PTGS2PTGS1SCD
SCHEMBL5597068 0.75 PTGS1 (0.75) PTGS2PTGS1
SCHEMBL13115339 0.72 MAPK13 (0.56)
SCHEMBL7084156 0.72 PTGS1 (0.74) PTGS2PTGS1
SCHEMBL30874320 0.71 PTGS1 (0.74) PTGS2PTGS1
SCHEMBL3246490 0.70 PTGS2 (0.90) PTGS2PTGS1
SCHEMBL5594983 0.70 PTGS2 (0.90) PTGS2PTGS1

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-1390026-B1 TREATMENT OF HPV CAUSED DISEASES CORNELL RES FOUNDATION INC (US) 2010-05-05 EP claimed