SCHEMBL8550565

SCHEMBL8550565

CC(O)c1nc(-c2ccccc2)c(-c2ccccc2S(N)(=O)=O)o1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 11/20 0.38
RXRA P19793 4/20 0.38
RXRB P28702 2/20 0.38
USP1 O94782 1/20 0.37
USP19 O94966 1/20 0.37
WDR48 Q8TAF3 1/20 0.37
ATR Q13535 1/20 0.37
PTGS2 P35354 1/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
MAOB P27338 1/20 0.36
FAAH O00519 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL8547032 0.90 NR4A2 (0.38) NR4A2RXRARXRBUSP1USP19
SCHEMBL8545808 0.89 USP1 (0.38) NR4A2RXRARXRBUSP1USP19
SCHEMBL8561383 0.85 USP1 (0.39) NR4A2USP1USP19WDR48PTGS2
SCHEMBL9099699 0.84 NR4A2 (0.39) NR4A2RXRARXRBUSP1USP19
SCHEMBL8546881 0.82 NR4A2 (0.52) NR4A2RXRARXRBPTGS2KDM4E
SCHEMBL8550926 0.81 PTGS2 (0.52) NR4A2RXRAPTGS2CA12CA1
SCHEMBL9095552 0.81 NR4A2 (0.37) NR4A2RXRARXRBUSP1USP19
SCHEMBL9234105 0.81 NR4A2 (0.38) NR4A2RXRARXRBUSP1USP19
Methane SCHEMBL6307525 0.81 NR4A2 (0.33) NR4A2RXRARXRBUSP1USP19
SCHEMBL5694182 0.81 PTGS2 (0.56) NR4A2RXRARXRBPTGS2CA12

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