SCHEMBL3240378

SCHEMBL3240378

CS(=O)(=O)c1ccc(-c2nc3sccn3c2-c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 1.00
PTGS1 P23219 3/20 0.80
PRKD3 O94806 1/20 0.52
MAP4K4 O95819 1/20 0.52
FGFR1 P11362 1/20 0.52
FRK P42685 1/20 0.52
MAPK8 P45983 1/20 0.52
MAPK9 P45984 1/20 0.52
CSNK1A1 P48729 1/20 0.52
CSNK1D P48730 1/20 0.52
GSK3B P49841 1/20 0.52
CSNK1G2 P78368 1/20 0.52
PRKCD Q05655 1/20 0.52
ERBB4 Q15303 1/20 0.52
MINK1 Q8N4C8 1/20 0.52
PRKD2 Q9BZL6 1/20 0.52
CSNK1G1 Q9HCP0 1/20 0.52
MAP3K20 Q9NYL2 1/20 0.52
CSNK1G3 Q9Y6M4 1/20 0.52
IDO1 P14902 2/20 0.50

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
SCHEMBL3246464 1.00 PTGS2 (1.00) PTGS2PTGS1PRKD3MAP4K4FGFR1
SCHEMBL3247762 0.89 PTGS2 (1.00) PTGS2PTGS1PRKD3MAP4K4FGFR1
SCHEMBL7851176 0.85 PTGS2 (0.76) PTGS2PTGS1PRKD3MAP4K4FGFR1
SCHEMBL7836982 0.79 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL3247750 0.79 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL3242224 0.79 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL3245733 0.78 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL7837508 0.78 PTGS2 (0.84) PTGS2PTGS1
SCHEMBL1429234 0.78 PTGS2 (0.64) PTGS2PTGS1PRKD3MAP4K4FGFR1
SCHEMBL7218055 0.78 PTGS2 (0.64) 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 5 patents. 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
EP-0802917-B1 ARYL SUBSTITUTED 5,5 FUSED AROMATIC NITROGEN COMPOUNDS AS ANTI-INFLAMMATORY AGENTS MERCK FROSST CANADA INC (CA) 2001-11-07 EP claimed
US-5552422-A Aryl substituted 5,5 fused aromatic nitrogen compounds as anti-inflammatory agents MERCK FROSST CANADA, INC. (CA) 1996-09-03 US claimed
EP-0802917-B1 ARYL SUBSTITUTED 5,5 FUSED AROMATIC NITROGEN COMPOUNDS AS ANTI-INFLAMMATORY AGENTS MERCK FROSST CANADA INC (CA) 2001-11-07 EP disclosed
US-5552422-A Aryl substituted 5,5 fused aromatic nitrogen compounds as anti-inflammatory agents MERCK FROSST CANADA, INC. (CA) 1996-09-03 US disclosed