SCHEMBL9813306

SCHEMBL9813306

COc1ccc2c(c1)Sc1cc(O)c(OC)cc1N2

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 3/20 0.71
NOX1 Q9Y5S8 4/20 0.61
GAA P10253 2/20 0.61
MAPT P10636 2/20 0.61
MAPK1 P28482 2/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
LMNA P02545 1/20 0.61
HTT P42858 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NFE2L2 Q16236 1/20 0.38
CA2 P00918 2/20 0.37
CA12 O43570 1/20 0.37

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
SCHEMBL29636455 0.84 SNCA (1.00) SNCANOX1GAAMAPTMAPK1
SCHEMBL3489840 0.84 SNCA (1.00) SNCANOX1GAAMAPTMAPK1
SCHEMBL9813212 0.80 SNCA (0.57) SNCANOX1GAAMAPTMAPK1
SCHEMBL9813149 0.80 SNCA (0.61) SNCANOX1GAAMAPTMAPK1
SCHEMBL17289246 0.76 SNCA (0.83) SNCANOX1GAAMAPTMAPK1
SCHEMBL4080414 0.76 NOX1 (1.00) SNCANOX1GAAMAPTMAPK1
SCHEMBL7664911 0.75 SNCA (0.80) SNCANOX1GAAMAPTMAPK1
SCHEMBL12311067 0.75 NOX1 (1.00) SNCANOX1GAAMAPTMAPK1
SCHEMBL7673272 0.75 SNCA (0.73) SNCANOX1GAAMAPTMAPK1
SCHEMBL28383858 0.73 SNCA (0.53) SNCANOX1GAAMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0138481-B1 LEUKOTRIENE BIOSYNTHESIS INHIBITORS MERCK FROSST CANADA INC. (CA) 1991-06-26 EP disclosed
US-4845083-A PHENOTHIAZINE DERIVATIVES AND ANALOGS MERCK FROSST CANADA, INC. (CA) 1989-07-04 US disclosed
EP-0138481-A2 Leukotriene biosynthesis inhibitors MERCK FROSST CANADA INC. (CA) 1985-04-24 EP disclosed