SCHEMBL8926185

SCHEMBL8926185

Cc1nc(OC2=C(S(C)(=O)=O)C(C)(C)OC2=O)ccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.44
PTGS1 P23219 8/20 0.43
S1PR4 O95977 1/20 0.36
MAPT P10636 1/20 0.36
S1PR1 P21453 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
GFER P55789 1/20 0.36
PAX8 Q06710 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TXNRD1 Q16881 3/20 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
SCHEMBL7490333 0.84 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL30072440 0.69 MEN1 (0.48) S1PR4MAPTS1PR1MAPK1RAB9A
SCHEMBL18956900 0.69 MEN1 (0.48) S1PR4MAPTS1PR1MAPK1RAB9A
SCHEMBL7495956 0.67 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL1428159 0.67 TXNRD1 (0.58) S1PR4MAPTS1PR1MAPK1RAB9A
SCHEMBL5205562 0.67 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL25133344 0.66 TXNRD1 (0.38) S1PR4MAPTS1PR1MAPK1RAB9A
SCHEMBL30720926 0.66 TXNRD1 (0.38) S1PR4MAPTS1PR1MAPK1RAB9A
SCHEMBL3143317 0.66 CYP3A4 (0.40) S1PR4MAPTS1PR1MAPK1RAB9A
SCHEMBL7836090 0.66 TXNRD1 (0.56) S1PR4MAPTS1PR1MAPK1RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5698584-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA, INC. (CA) 1997-12-16 US disclosed