SCHEMBL2299077

SCHEMBL2299077

COc1c(N)nc2c(c1OC)Cc1ccccc1-2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.50
ADORA2A P29274 1/20 0.50
ACHE P22303 7/20 0.49
BCHE P06276 1/20 0.49
MAPT P10636 3/20 0.45
HPGD P15428 3/20 0.45
LMNA P02545 2/20 0.45
ATM Q13315 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SQOR Q9Y6N5 1/20 0.45
KDR P35968 2/20 0.45
HRH4 Q9H3N8 1/20 0.42
CHEK1 O14757 2/20 0.42
DAPK3 O43293 1/20 0.42
LTK P29376 1/20 0.42
MAPK8 P45983 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CDK8 P49336 1/20 0.42

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
SCHEMBL21292583 0.79 ACHE (0.64) ADORA1ADORA2AACHEBCHEKDR
SCHEMBL28107490 0.70 KDM4E (0.42) MAPTMEN1KMT2ASQORKDM4E
SCHEMBL27409414 0.69 KDR (0.54) ADORA1ADORA2AACHEBCHEKDR
SCHEMBL14523463 0.67 LMNA (0.73) ADORA1ADORA2AACHEBCHEMAPT
SCHEMBL29672082 0.67 LMNA (0.50) ADORA1MAPTLMNAMEN1KMT2A
SCHEMBL13273646 0.67 ADORA2A (0.54) ADORA1ADORA2AACHEBCHEMAPT
SCHEMBL10146681 0.66 ADORA2A (0.52) ADORA1ADORA2AACHEMAPTHPGD
SCHEMBL25473538 0.66 ADORA1 (0.49) ADORA1ADORA2AACHEBCHEMAPT
SCHEMBL26153067 0.66 ADORA1 (0.49) ADORA1ADORA2AACHEBCHEMAPT
SCHEMBL18416147 0.66 ACHE (0.55) ADORA1ADORA2AACHEBCHEMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003597-B2 Combination therapy for the treatment of diabetes and conditions related thereto and for the treatment of conditions ameliorated by increasing a blood GLP-1 level ARENA PHARMACEUTICALS, INC. (US) 2011-08-23 US disclosed