SCHEMBL8552366

SCHEMBL8552366

Cc1nc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(Br)cc2)o1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.76
PTGS1 P23219 10/20 0.76
CA2 P00918 4/20 0.54
CA12 O43570 3/20 0.54
CA9 Q16790 3/20 0.54
KMT2A Q03164 1/20 0.48
CA1 P00915 2/20 0.47

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
SCHEMBL8140711 1.00 PTGS2 (0.76) PTGS2PTGS1CA2CA12CA9
SCHEMBL7505993 0.93 PTGS2 (0.86) PTGS2PTGS1CA2CA12CA9
SCHEMBL8551037 0.87 PTGS2 (0.78) PTGS2PTGS1CA2CA12CA9
SCHEMBL6513045 0.87 PTGS2 (0.77) PTGS2PTGS1KMT2A
SCHEMBL213986 0.87 PTGS2 (0.78) PTGS2PTGS1CA2CA12CA9
SCHEMBL7504621 0.86 PTGS2 (0.76) PTGS2PTGS1CA2CA12CA9
SCHEMBL7799127 0.86 PTGS2 (0.76) PTGS2PTGS1CA2CA12CA9
SCHEMBL7500813 0.86 PTGS2 (1.00) PTGS2PTGS1KMT2A
SCHEMBL7505580 0.86 PTGS2 (1.00) PTGS2PTGS1KMT2A
SCHEMBL8552519 0.86 PTGS2 (0.76) PTGS2PTGS1CA2CA12CA9

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