SCHEMBL9707239

SCHEMBL9707239

CC(=O)N(O)Cc1ccc(Oc2ccccn2)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.59
ALOX5 P09917 2/20 0.59
PTGS1 P23219 1/20 0.59
ADAMTS4 O75173 1/20 0.44
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
P2RX3 P56373 4/20 0.41
LTA4H P09960 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ACACB O00763 1/20 0.40
ACACA Q13085 1/20 0.40
TSPO P30536 1/20 0.40
LIPE Q05469 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
SCHEMBL9707258 0.86 PTGS2 (0.49) PTGS2ALOX5PTGS1
SCHEMBL9707420 0.81 ALOX5 (0.70) PTGS2ALOX5PTGS1LTA4H
SCHEMBL9707287 0.76 ALOX5 (0.52) PTGS2ALOX5PTGS1
SCHEMBL9878036 0.75 PTGES (0.45) PTGS2ALOX5
SCHEMBL5598667 0.75 RAB9A (0.58) PTGS2GAASMN1; SMN2LTA4HALDH1A1
SCHEMBL3543339 0.75 LTA4H (0.58) PTGS2ADAMTS4P2RX3LTA4HALDH1A1
SCHEMBL5024073 0.75 PTGS2 (0.50) PTGS2ADAMTS4SMN1; SMN2LTA4HKDM4E
SCHEMBL9707249 0.74 ALOX5 (1.00) PTGS2ALOX5PTGS1SMN1; SMN2ALDH1A1
SCHEMBL3242252 0.74 LTA4H (0.42) PTGS2ADAMTS4LTA4HKDM4EALDH1A1
SCHEMBL11143982 0.73 PTGS2 (0.57) PTGS2SMN1; SMN2LTA4HKDM4E

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