SCHEMBL9813149

SCHEMBL9813149

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 3/20 0.61
NOX1 Q9Y5S8 3/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
MAPT P10636 3/20 0.55
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
HTT P42858 2/20 0.55
GAA P10253 1/20 0.55
MAPK1 P28482 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
TNFSF11 O14788 1/20 0.43
BACE1 P56817 1/20 0.43
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.39
F2 P00734 1/20 0.39
GLA P06280 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
SCHEMBL10500347 0.80 NOX1 (0.52) SNCANOX1MEN1KMT2AMAPT
SCHEMBL9813306 0.80 SNCA (0.71) SNCANOX1MEN1KMT2AMAPT
SCHEMBL9813175 0.79 SNCA (0.50) SNCANOX1MEN1KMT2AMAPT
SCHEMBL29636455 0.78 SNCA (1.00) SNCANOX1MEN1KMT2AMAPT
SCHEMBL3489840 0.78 SNCA (1.00) SNCANOX1MEN1KMT2AMAPT
SCHEMBL2609258 0.77 NOX1 (0.66) SNCANOX1MEN1KMT2AMAPT
SCHEMBL9813193 0.76 TNFSF11 (0.42) SNCAMEN1KMT2AMAPTL3MBTL1
SCHEMBL9813220 0.76 KMT2A (0.58) MEN1KMT2AMAPTL3MBTL1HTT
SCHEMBL28383858 0.75 SNCA (0.53) SNCANOX1MEN1KMT2AMAPT
SCHEMBL31425266 0.73 SNCA (0.63) SNCANOX1MEN1KMT2AMAPT

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