SCHEMBL9707258

SCHEMBL9707258

CC(=O)N(O)Cc1cccc(Oc2ccccn2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.49
ALOX5 P09917 3/20 0.49
PTGS1 P23219 2/20 0.49
MGLL Q99685 1/20 0.45
ALOX5AP P20292 1/20 0.44
TLR4 O00206 1/20 0.42
TLR2 O60603 1/20 0.42
PTGES O14684 1/20 0.42
PPARG P37231 1/20 0.41
BRS3 P32247 1/20 0.40
SCN7A Q01118 2/20 0.40
KCNH2 Q12809 2/20 0.40
SCN5A Q14524 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN8A Q9UQD0 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
IP6K1 Q92551 1/20 0.40
IP6K3 Q96PC2 1/20 0.40
IP6K2 Q9UHH9 1/20 0.40

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
SCHEMBL9878036 0.87 PTGES (0.45) PTGS2ALOX5MGLLTLR4TLR2
SCHEMBL9707239 0.86 PTGS2 (0.59) PTGS2ALOX5PTGS1
SCHEMBL9707266 0.83 ALOX5 (0.61) PTGS2ALOX5PTGS1ALOX5APPTGES
SCHEMBL9707248 0.78 ALOX5 (0.74) PTGS2ALOX5PTGS1PTGES
SCHEMBL8783822 0.78 FFAR1 (0.50) MGLLTLR4TLR2PPARGBRS3
SCHEMBL14032962 0.77 MGLL (0.47) PTGS2MGLLTLR4TLR2PPARG
SCHEMBL1747080 0.77 MGLL (0.47) MGLLTLR4TLR2BRS3IP6K1
SCHEMBL5024643 0.77 TLR4 (0.47) PTGS2MGLLTLR4TLR2KMT2A
SCHEMBL5310793 0.74 MEN1 (0.70) MGLLTLR4TLR2PPARGMEN1
SCHEMBL27234543 0.74 MGLL (0.46) MGLLTLR4TLR2PPARGBRS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0196184-B1 ARYL DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1992-09-16 EP disclosed
US-5036157-A Hydroxamic acid derivatives, lipoxygenase and cyclooxygenase inhibitors, anticoagulants, antiinflammatory agents BURROUGHS WELLCOME CO. 1991-07-30 US disclosed
US-4977188-A Hydroamic acid derivatives BURROUGHS WELLCOME CO. (US) 1990-12-11 US disclosed
WO-1990001929-A1 NEW MEDICAL USE THE WELLCOME FOUNDATION LIMITED (GB) 1990-03-08 WO disclosed
US-4738986-A CYCLOOXYGENASE, LIDOXYGENASE INHIBITORS BURROUGHS WELLCOME CO. (US) 1988-04-19 US disclosed
EP-0196184-A2 Aryl derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1986-10-01 EP disclosed