SCHEMBL6315005

SCHEMBL6315005

COc1ccc(-c2nc(CC(=O)NO)oc2-c2ccccc2S(N)(=O)=O)cc1F

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.45
PTGS1 P23219 8/20 0.45
RXRA P19793 1/20 0.41
MEP1B Q16820 1/20 0.40
F10 P00742 4/20 0.40
SCN9A Q15858 1/20 0.39
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
CDK2 P24941 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL6315580 0.90 PTGS2 (0.45) PTGS2PTGS1RXRAF10SCN9A
SCHEMBL8549844 0.88 PTGS2 (0.52) PTGS2PTGS1RXRAF10ALOX5AP
SCHEMBL6315419 0.88 PTGS2 (0.44) PTGS2PTGS1RXRAF10ALOX5AP
SCHEMBL8561414 0.86 PTGS2 (0.47) PTGS2PTGS1RXRASCN9AALOX5AP
SCHEMBL6314997 0.85 PTGS2 (0.52) PTGS2PTGS1MEP1BCDK2
SCHEMBL6314962 0.85 MMP2 (0.48) RXRAF10SCN9A
SCHEMBL6309710 0.85 NR4A2 (0.44) PTGS2PTGS1RXRAF10ALOX5AP
SCHEMBL6315591 0.84 PTGS2 (0.44) PTGS2PTGS1RXRAF10ALOX5AP
SCHEMBL6308687 0.84 NR4A2 (0.44) PTGS2PTGS1RXRACA9
SCHEMBL6310277 0.83 RXRA (0.47) PTGS2PTGS1RXRAF10

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-6875785-B2 Heterocyclo substituted hydroxamic acid derivatives as cyclooxygenase-2 and 5-lipoxygenase inhibitors PHARMACIA CORPORATION (US) 2005-04-05 US claimed