SCHEMBL6994631

SCHEMBL6994631

CC1CNC(Cc2nc3ccccc3[nH]2)=N1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
DDAH1 O94760 1/20 0.50
PKM P14618 1/20 0.49
KRAS P01116 1/20 0.47
POLB P06746 2/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
GRIN1 Q05586 1/20 0.44
GRIN2B Q13224 1/20 0.44

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
SCHEMBL6998141 0.76 GAA (0.49) GAADDAH1PKMKRASPOLB
SCHEMBL230024 0.75 GAA (0.78) GAADDAH1PKMKRASPOLB
Iodomethane SCHEMBL27491515 0.73 GAA (0.70) GAADDAH1PKMKRASPOLB
SCHEMBL6992236 0.72 GAA (0.55) GAADDAH1PKMKRASPOLB
SCHEMBL6993752 0.70 GAA (0.53) GAADDAH1PKMKRASPOLB
SCHEMBL9029321 0.70 NPC1 (0.34) GAADDAH1PKMKRASPOLB
SCHEMBL11783603 0.69 SMN1; SMN2 (0.50) GAAPOLBLMNA
SCHEMBL7000055 0.69 GAA (0.51) GAADDAH1PKMKRASPOLB
Bendazol SCHEMBL29539948 0.69 GAA (1.00) GAADDAH1PKMKRASPOLB
Bendazol SCHEMBL309393 0.69 GAA (1.00) GAADDAH1PKMKRASPOLB

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-1189889-B1 COMPOSITIONS AND METHODS FOR INHIBITING CELL DEATH ELAN PHARMA INT LTD (IE) 2003-12-17 EP claimed
EP-1189889-B1 COMPOSITIONS AND METHODS FOR INHIBITING CELL DEATH ELAN PHARMA INT LTD (IE) 2003-12-17 EP disclosed
US-6541486-B1 Used for treating ischemia, such as results from stroke or myocardial infarction, trauma, neurodegeneration, and inflammation. ELAN PHARMA INTERNATIONAL LTD. (IE) 2003-04-01 US disclosed