SCHEMBL8551262

SCHEMBL8551262

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

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
RXRA P19793 2/20 0.51
RXRB P28702 2/20 0.51
RXRG P48443 2/20 0.51
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
PTGS2 P35354 12/20 0.49
PTGS1 P23219 11/20 0.49
EPHX2 P34913 1/20 0.49
ENPP3 O14638 1/20 0.40

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
SCHEMBL8550690 0.86 CA1 (0.55) MAOBRXRARXRBRXRGCA12
SCHEMBL7499991 0.84 RXRA (0.55) MAOAMAOBRXRARXRBRXRG
SCHEMBL8546163 0.83 RXRA (0.76) RXRARXRBRXRGPTGS2PTGS1
SCHEMBL7505499 0.83 PTGS2 (0.54) MAOAMAOBRXRARXRBRXRG
SCHEMBL7506769 0.83 PTGS2 (0.54) MAOAMAOBRXRARXRBRXRG
SCHEMBL8547846 0.82 PTGS1 (0.77) MAOAMAOBRXRARXRBRXRG
SCHEMBL8547018 0.81 CA1 (0.55) MAOBRXRARXRBRXRGCA12
SCHEMBL8550703 0.81 PTGS2 (0.54) MAOAMAOBRXRARXRBRXRG
SCHEMBL8546261 0.81 RXRA (0.53) MAOAMAOBRXRARXRBRXRG
SCHEMBL8548227 0.81 PTGS1 (0.72) MAOAMAOBRXRARXRBRXRG

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
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