SCHEMBL8551030

SCHEMBL8551030

CS(=O)(=O)c1ccc(-c2c(Cl)cc(-c3coc(Cc4ccccc4)n3)cc2Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.43
PTGS2 P35354 15/20 0.42
PTGS1 P23219 3/20 0.42
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL8550175 0.91 PTGS2 (0.42) TP53PTGS2PTGS1LMNATHRB
SCHEMBL8551034 0.89 PTGS2 (0.42) PTGS2PTGS1LMNA
SCHEMBL8551014 0.85 PTGS2 (0.41) TP53PTGS2PTGS1LMNATHRB
SCHEMBL8550177 0.82 PTGS2 (0.42) TP53PTGS2PTGS1LMNA
SCHEMBL8552226 0.80 PTGS2 (0.47) TP53PTGS2PTGS1LMNATHRB
SCHEMBL8547371 0.79 PTGS2 (0.47) TP53PTGS2PTGS1LMNATHRB
SCHEMBL8551144 0.79 ERN1 (0.42) TP53PTGS2PTGS1
SCHEMBL8546636 0.79 PTGS2 (0.40) TP53PTGS2PTGS1LMNATHRB
SCHEMBL8546693 0.77 PTGS2 (0.46) TP53PTGS2PTGS1
SCHEMBL8547373 0.77 PTGS2 (0.46) TP53PTGS2PTGS1LMNATHRB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0825989-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-03-04 EP disclosed
WO-1996036617-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-11-21 WO disclosed