SCHEMBL9048852

SCHEMBL9048852

NC(=O)N(O)CC#Cc1cccc(Oc2cccnc2)c1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.74
LMNA P02545 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HAO1 Q9UJM8 5/20 0.46
EPHX2 P34913 1/20 0.42
GRM5 P41594 2/20 0.41
CYP2A6 P11509 1/20 0.41
CYP19A1 P11511 1/20 0.39
ACACB O00763 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
SCHEMBL9045840 0.86 ALOX5 (1.00) ALOX5HAO1EPHX2
SCHEMBL9047820 0.83 ALOX5 (0.51) ALOX5LMNATDP1GRM5CYP19A1
SCHEMBL9045831 0.81 ALOX5 (0.82) ALOX5LMNAHAO1EPHX2
SCHEMBL9047628 0.81 ALOX5 (0.82) ALOX5TDP1HAO1EPHX2
SCHEMBL9049044 0.81 ALOX5 (0.82) ALOX5HAO1EPHX2
SCHEMBL9049379 0.81 ALOX5 (0.73) ALOX5HAO1EPHX2GRM5
SCHEMBL9047852 0.78 ALOX5 (0.76) ALOX5LMNATDP1HAO1EPHX2
SCHEMBL9048629 0.71 ALOX5 (0.69) ALOX5EPHX2
SCHEMBL9380781 0.70 ALOX5 (0.76) ALOX5LMNATDP1
SCHEMBL9380777 0.70 ALOX5 (0.76) ALOX5LMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0540673-B1 ACETYLENE DERIVATIVES HAVING LIPOXYGENASE INHIBITORY ACTIVITY ABBOTT LAB (US) 1996-10-16 EP claimed
EP-0540673-A4 1994-04-27 EP claimed
EP-0540673-A1 ACETYLENE DERIVATIVES HAVING LIPOXYGENASE INHIBITORY ACTIVITY. ABBOTT LAB (US) 1993-05-12 EP claimed
WO-1992001682-A1 ACETYLENE DERIVATIVES HAVING LIPOXYGENASE INHIBITORY ACTIVITY ABBOTT LABORATORIES (US) 1992-02-06 WO claimed
EP-0540673-B1 ACETYLENE DERIVATIVES HAVING LIPOXYGENASE INHIBITORY ACTIVITY ABBOTT LAB (US) 1996-10-16 EP disclosed
US-5559144-A LIPOXYGENASE INHIBITORS, INHIBITORS OF BIOSYNTHESIS OF LEUKOTRIENES ABBOTT LABORATORIES (US) 1996-09-24 US disclosed
US-5476873-A Inhibit biosynthesis of leukotrienes ABBOTT LABORATORIES (US) 1995-12-19 US disclosed
EP-0540673-A4 1994-04-27 EP disclosed
EP-0540673-A1 ACETYLENE DERIVATIVES HAVING LIPOXYGENASE INHIBITORY ACTIVITY. ABBOTT LAB (US) 1993-05-12 EP disclosed
WO-1992001682-A1 ACETYLENE DERIVATIVES HAVING LIPOXYGENASE INHIBITORY ACTIVITY ABBOTT LABORATORIES (US) 1992-02-06 WO disclosed