SCHEMBL9420134

SCHEMBL9420134

CS(=O)(=O)c1ccc(-c2c(Cl)c(Cl)nc(Cl)c2Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 14/20 0.49
▸ PTGS1 P23219 2/20 0.44
▸ IDO1 P14902 1/20 0.43

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
SCHEMBL8444836 0.74 ALDH1A1 (0.46) PTGS2
SCHEMBL23174428 0.73 PTGS2 (0.55) PTGS2
SCHEMBL3997004 0.73 PTGS2 (0.50) PTGS2PTGS1IDO1
SCHEMBL10300269 0.72 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL7677302 0.72 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL29802375 0.71 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL23093295 0.71 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL23093455 0.71 KCNH2 (0.47) PTGS2PTGS1
SCHEMBL5052857 0.71 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL22807038 0.70 PTGS2 (0.60) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0390394-B1 Composition and use ZENECA LTD (GB) 1994-06-15 — — EP disclosed
US-5125967-A For water supply systems, paints, coatings IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-06-30 — — US disclosed
EP-0390394-A2 Composition and use ZENECA LIMITED (GB) 1990-10-03 — — EP disclosed
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