SCHEMBL9830944

SCHEMBL9830944

COc1ccc2c(c1)Sc1nccnc1N2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 3/20 0.61
GAA P10253 2/20 0.56
MAPT P10636 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
KDM4E B2RXH2 1/20 0.56
HPGD P15428 1/20 0.56
NOX1 Q9Y5S8 3/20 0.54
MEN1 O00255 1/20 0.54
LMNA P02545 1/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.54
KMT2A Q03164 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
ICAM1 P05362 10/20 0.43
CCR1 P32246 1/20 0.39
CCR5 P51681 1/20 0.39
CCR8 P51685 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
SCHEMBL3489840 0.77 SNCA (1.00) SNCAGAAMAPTSMN1; SMN2KDM4E
SCHEMBL29636455 0.77 SNCA (1.00) SNCAGAAMAPTSMN1; SMN2KDM4E
SCHEMBL9831935 0.77 KDM4E (0.61) GAAMAPTSMN1; SMN2KDM4EHPGD
SCHEMBL6752502 0.77 MAPT (0.50) GAAMAPTSMN1; SMN2KDM4EHPGD
SCHEMBL9831791 0.74 KDM4E (0.47) GAAMAPTSMN1; SMN2KDM4EHPGD
SCHEMBL2575044 0.73 MAPT (1.00) SNCAGAAMAPTSMN1; SMN2KDM4E
SCHEMBL6750365 0.72 ICAM1 (0.55) GAAMAPTSMN1; SMN2KDM4EHPGD
SCHEMBL6747412 0.71 GAA (0.47) GAAMAPTSMN1; SMN2KDM4EHPGD
Hydrochloric Acid SCHEMBL8319061 0.71 KDM4E (0.50) GAAMAPTSMN1; SMN2KDM4EHPGD
SCHEMBL8322621 0.70 KDM4E (0.52) GAAMAPTSMN1; SMN2KDM4EHPGD

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-0140709-B1 5-LIPOXYGENASE INHIBITORS MERCK FROSST CANADA INC. (CA) 1991-04-03 EP disclosed
US-4634766-A LIPOXYGENASE INHIBITORS MERCK FROSST CANADA, INC. (CA) 1987-01-06 US disclosed
EP-0140709-A2 5-Lipoxygenase inhibitors MERCK FROSST CANADA INC. (CA) 1985-05-08 EP disclosed