SCHEMBL8549728

SCHEMBL8549728

NS(=O)(=O)c1ccc(-c2oc(CCn3cccc3)nc2-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 8/20 0.50
RXRA P19793 7/20 0.49
RXRB P28702 7/20 0.49
PTGS2 P35354 5/20 0.49
RXRG P48443 4/20 0.49
NR4A1 P22736 3/20 0.49
NR4A3 Q92570 3/20 0.49
PTGS1 P23219 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ABCC4 O15439 1/20 0.49
C5 P01031 1/20 0.49
LMNA P02545 1/20 0.49
CHRM2 P08172 1/20 0.49
CYP3A4 P08684 1/20 0.49
CHRM1 P11229 1/20 0.49
DRD2 P14416 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
TBXA2R P21731 1/20 0.49
HTR2A P28223 1/20 0.49

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
SCHEMBL8547635 0.93 NR4A2 (0.51) NR4A2RXRARXRBPTGS2RXRG
SCHEMBL6025964 0.84 NR4A2 (0.55) NR4A2RXRARXRBPTGS2RXRG
SCHEMBL8546794 0.84 HRH3 (0.49) NR4A2RXRARXRBPTGS2RXRG
SCHEMBL8550570 0.83 NR4A2 (0.57) NR4A2RXRARXRBPTGS2RXRG
SCHEMBL7503160 0.83 NR4A2 (0.54) NR4A2RXRARXRBPTGS2RXRG
SCHEMBL7499819 0.83 CA1 (0.60) NR4A2RXRARXRBPTGS2RXRG
SCHEMBL8547030 0.83 NR4A2 (0.57) NR4A2RXRARXRBPTGS2RXRG
SCHEMBL7501479 0.83 NR4A2 (0.54) NR4A2RXRARXRBPTGS2RXRG
SCHEMBL7498736 0.83 CA1 (0.60) NR4A2RXRARXRBPTGS2RXRG
SCHEMBL8547088 0.82 NR4A2 (0.56) NR4A2RXRARXRBPTGS2RXRG

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