SCHEMBL8552563

SCHEMBL8552563

COCc1nc(-c2cccc(Cl)c2)c(-c2ccc(S(N)(=O)=O)cc2)o1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.52
CA1 P00915 4/20 0.52
RXRA P19793 6/20 0.50
RXRB P28702 6/20 0.50
RXRG P48443 6/20 0.50
NR4A2 P43354 1/20 0.45
PTGS2 P35354 6/20 0.43
PTGS1 P23219 4/20 0.43
CA9 Q16790 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
CA12 O43570 1/20 0.39
RORC P51449 1/20 0.39
MAOB P27338 1/20 0.39
CA13 Q8N1Q1 1/20 0.39

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
SCHEMBL8552080 0.96 CA2 (0.52) CA2CA1RXRARXRBRXRG
SCHEMBL8550690 0.88 CA1 (0.55) CA2CA1RXRARXRBRXRG
SCHEMBL8547060 0.88 PTGS2 (0.50) CA2CA1RXRARXRBRXRG
SCHEMBL8552170 0.88 PTGS2 (0.50) CA2CA1RXRARXRBRXRG
SCHEMBL8552103 0.87 PTGS2 (0.51) CA2CA1RXRARXRBRXRG
SCHEMBL8148477 0.87 PTGS2 (0.51) CA2CA1RXRARXRBRXRG
SCHEMBL8547018 0.84 CA1 (0.55) CA2CA1RXRARXRBRXRG
SCHEMBL7506071 0.83 RXRA (0.55) CA2CA1RXRARXRBRXRG
SCHEMBL7496715 0.82 RXRA (0.47) CA2CA1RXRARXRBRXRG
SCHEMBL7506528 0.82 RXRA (0.47) CA2CA1RXRARXRBRXRG

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