SCHEMBL6315580

SCHEMBL6315580

COc1ccc(-c2nc(CC(=O)NO)oc2-c2ccccc2S(N)(=O)=O)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.45
PTGS1 P23219 4/20 0.45
NR4A2 P43354 4/20 0.42
RXRA P19793 3/20 0.41
SCN9A Q15858 1/20 0.39
EPHX2 P34913 1/20 0.39
RXRB P28702 2/20 0.38
RXRG P48443 1/20 0.38
F10 P00742 4/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
NR4A1 P22736 1/20 0.36
NR4A3 Q92570 1/20 0.36
F2 P00734 1/20 0.36
AURKA O14965 1/20 0.36
ROCK2 O75116 1/20 0.36
RPS6KA5 O75582 1/20 0.36
NTRK1 P04629 1/20 0.36
LCK P06239 1/20 0.36
CSF1R P07333 1/20 0.36

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
SCHEMBL6308151 0.91 PTGS2 (0.48) PTGS2PTGS1NR4A2RXRAEPHX2
SCHEMBL6315005 0.90 PTGS2 (0.45) PTGS2PTGS1RXRASCN9AF10
SCHEMBL8604402 0.89 PTGS2 (0.43) PTGS2PTGS1NR4A2RXRASCN9A
SCHEMBL6309069 0.89 NR4A2 (0.49) PTGS2PTGS1NR4A2RXRAEPHX2
SCHEMBL8561125 0.86 PTGS2 (0.47) PTGS2PTGS1NR4A2RXRASCN9A
SCHEMBL6309710 0.86 NR4A2 (0.44) PTGS2PTGS1NR4A2RXRAEPHX2
SCHEMBL6315576 0.85 PTGS2 (0.50) PTGS2PTGS1RXRAEPHX2RXRB
SCHEMBL6314962 0.85 MMP2 (0.48) NR4A2RXRASCN9ARXRBF10
SCHEMBL6307441 0.84 PTGS2 (0.44) PTGS2PTGS1NR4A2RXRAEPHX2
SCHEMBL6310938 0.84 NR4A2 (0.49) NR4A2RXRARXRBRXRGF10

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