SCHEMBL8551037

SCHEMBL8551037

Cc1nc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccccc2)o1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.78
PTGS1 P23219 9/20 0.78
KMT2A Q03164 1/20 0.63
MAPK13 O15264 1/20 0.60
MAPK12 P53778 1/20 0.60
MAPK11 Q15759 1/20 0.60
MAPK14 Q16539 1/20 0.60
CA1 P00915 5/20 0.57
CA2 P00918 5/20 0.57
CA12 O43570 3/20 0.57
CA9 Q16790 3/20 0.57
MT-CO2 P00403 1/20 0.56
LMNA P02545 1/20 0.56
CA3 P07451 1/20 0.56
ADRB2 P07550 1/20 0.56
ADRB1 P08588 1/20 0.56
CYP3A4 P08684 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
CHRM1 P11229 1/20 0.56
ADRA2B P18089 1/20 0.56

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
SCHEMBL213986 1.00 PTGS2 (0.78) PTGS2PTGS1KMT2AMAPK13MAPK12
SCHEMBL7505993 0.94 PTGS2 (0.86) PTGS2PTGS1KMT2AMAPK13MAPK12
SCHEMBL8140711 0.87 PTGS2 (0.76) PTGS2PTGS1KMT2ACA1CA2
SCHEMBL7504621 0.87 PTGS2 (0.76) PTGS2PTGS1KMT2ACA1CA2
SCHEMBL7500813 0.87 PTGS2 (1.00) PTGS2PTGS1KMT2AMAOAMAOB
SCHEMBL7799127 0.87 PTGS2 (0.76) PTGS2PTGS1KMT2AMAPK13MAPK12
SCHEMBL7505580 0.87 PTGS2 (1.00) PTGS2PTGS1KMT2AMAOAMAOB
SCHEMBL8552366 0.87 PTGS2 (0.76) PTGS2PTGS1KMT2ACA1CA2
SCHEMBL8552519 0.87 PTGS2 (0.76) PTGS2PTGS1KMT2ACA1CA2
SCHEMBL8550008 0.84 PTGS2 (0.75) PTGS2PTGS1KMT2ACA1CA2

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