SCHEMBL8547637

SCHEMBL8547637

CC(Cc1nc(-c2ccccc2)c(-c2ccc(S(N)(=O)=O)cc2)o1)n1cccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 8/20 0.52
RXRA P19793 3/20 0.52
PTGS2 P35354 7/20 0.46
PTGS1 P23219 3/20 0.46
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA12 O43570 2/20 0.44
CA9 Q16790 2/20 0.44
NR4A1 P22736 1/20 0.43
NR4A3 Q92570 1/20 0.43
RXRB P28702 2/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
MT-CO2 P00403 1/20 0.41
LMNA P02545 1/20 0.41
CA3 P07451 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADORA3 P0DMS8 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
SCHEMBL8546885 0.84 NR4A2 (0.59) NR4A2RXRAPTGS2PTGS1CA1
SCHEMBL6002174 0.83 NR4A2 (0.78) NR4A2RXRAPTGS2PTGS1NR4A1
SCHEMBL6000516 0.83 NR4A2 (0.78) NR4A2RXRAPTGS2PTGS1NR4A1
SCHEMBL8552244 0.81 NR4A2 (0.58) NR4A2RXRAPTGS2PTGS1NR4A1
SCHEMBL7505499 0.81 PTGS2 (0.54) NR4A2RXRAPTGS2PTGS1CA1
SCHEMBL7506769 0.81 PTGS2 (0.54) NR4A2RXRAPTGS2PTGS1CA1
SCHEMBL8549728 0.79 NR4A2 (0.50) NR4A2RXRAPTGS2PTGS1CA1
SCHEMBL8547632 0.79 PTGS2 (0.46) NR4A2PTGS2PTGS1CA1CA2
SCHEMBL6002081 0.79 NR4A2 (0.79) NR4A2RXRAPTGS2PTGS1NR4A1
SCHEMBL6002019 0.79 NR4A2 (0.79) NR4A2RXRAPTGS2PTGS1NR4A1

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