SCHEMBL9878036

SCHEMBL9878036

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.45
ALOX5 P09917 1/20 0.43
MGLL Q99685 1/20 0.43
ACHE P22303 2/20 0.41
BCHE P06276 1/20 0.40
MAP2K7 O14733 1/20 0.40
PTGS2 P35354 1/20 0.40
TLR4 O00206 1/20 0.40
TLR2 O60603 1/20 0.40
GCK P35557 1/20 0.39
PPARG P37231 1/20 0.39
LOX P28300 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL9707258 0.87 PTGS2 (0.49) PTGESALOX5MGLLPTGS2TLR4
SCHEMBL9382245 0.78 ALOX5 (0.60) ALOX5MGLLPTGS2PPARG
SCHEMBL9382239 0.78 ALOX5 (0.60) ALOX5MGLLPTGS2PPARG
SCHEMBL14032962 0.77 MGLL (0.47) MGLLPTGS2TLR4TLR2PPARG
SCHEMBL9707239 0.75 PTGS2 (0.59) ALOX5PTGS2
SCHEMBL8783822 0.75 FFAR1 (0.50) MGLLTLR4TLR2PPARGLOX
SCHEMBL5024643 0.74 TLR4 (0.47) MGLLPTGS2TLR4TLR2LOX
SCHEMBL1747080 0.74 MGLL (0.47) MGLLTLR4TLR2LOXLOXL2
SCHEMBL11304260 0.74 F10 (0.56) PPARGLOXLOXL2
SCHEMBL9707275 0.73 LOXL2 (0.52) MGLLTLR4TLR2LOXLOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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