SCHEMBL8550690

SCHEMBL8550690

CCc1nc(-c2cccc(Cl)c2)c(-c2ccc(S(N)(=O)=O)cc2)o1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.55
CA2 P00918 4/20 0.55
RXRA P19793 7/20 0.53
RXRB P28702 7/20 0.53
RXRG P48443 7/20 0.53
NR4A2 P43354 1/20 0.47
PTGS2 P35354 6/20 0.46
PTGS1 P23219 4/20 0.46
CHRNA7 P36544 2/20 0.42
CA9 Q16790 2/20 0.41
MAOB P27338 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
RORC P51449 1/20 0.41
CA12 O43570 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
SCHEMBL8547018 0.95 CA1 (0.55) CA1CA2RXRARXRBRXRG
SCHEMBL8552563 0.88 CA2 (0.52) CA1CA2RXRARXRBRXRG
SCHEMBL8550703 0.86 PTGS2 (0.54) CA1CA2RXRARXRBRXRG
SCHEMBL8551262 0.86 MAOA (0.53) CA1CA2RXRARXRBRXRG
SCHEMBL7506071 0.86 RXRA (0.55) CA1CA2RXRARXRBRXRG
SCHEMBL7506769 0.86 PTGS2 (0.54) CA1CA2RXRARXRBRXRG
SCHEMBL7505499 0.86 PTGS2 (0.54) CA1CA2RXRARXRBRXRG
SCHEMBL8552080 0.84 CA2 (0.52) CA1CA2RXRARXRBRXRG
SCHEMBL7504566 0.81 RXRA (0.55) CA1CA2RXRARXRBRXRG
SCHEMBL7506528 0.79 RXRA (0.47) CA1CA2RXRARXRBRXRG

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 4 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 claimed
WO-1996036617-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-11-21 WO claimed
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