SCHEMBL2584051

SCHEMBL2584051

NC(=O)c1cccc2[nH]c3ccc[c]c3c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 17/20 0.43
PARP2 Q9UGN5 2/20 0.37
PKN1 Q16512 2/20 0.37
PKN2 Q16513 2/20 0.37
PLK4 O00444 1/20 0.37
MAPK13 O15264 1/20 0.37
DYRK3 O43781 1/20 0.37
ROCK2 O75116 1/20 0.37
RPS6KA5 O75582 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
CHEK2 O96017 1/20 0.37
PIM1 P11309 1/20 0.37
PHKG2 P15735 1/20 0.37
PRKACA P17612 1/20 0.37
RPS6KB1 P23443 1/20 0.37
CSNK1D P48730 1/20 0.37
CLK2 P49760 1/20 0.37
GSK3A P49840 1/20 0.37
PRKX P51817 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
SCHEMBL6129592 0.73 IMPDH2 (0.55) PARP1PIM1DYRK1APIM3DHODH
SCHEMBL30006934 0.73 IMPDH2 (0.55) PARP1PIM1DYRK1APIM3DHODH
SCHEMBL4292765 0.73 PARP1 (0.46) PARP1PARP2PLK4MAP4K4PRKX
SCHEMBL2470259 0.72 ALDH1A1 (0.54) PARP1PIM1PIM3ALDH1A1ATM
SCHEMBL2388664 0.71 ALDH1A1 (0.39) ALDH1A1ATM
SCHEMBL30007584 0.69 PARP1 (0.44) PARP1PIM1PIM3DHODHALDH1A1
SCHEMBL15995219 0.68 HTR7 (0.46) PARP1CHEK2ALDH1A1
SCHEMBL9149047 0.67 PIM1 (0.50) PARP1PARP2PKN1PKN2PLK4
SCHEMBL30849286 0.67 KIF11 (0.50) PARP1CAMK2BCAMK2GCAMK2DALDH1A1
SCHEMBL10482945 0.66 KDM4E (0.45) PARP1ALDH1A1ATM

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
WO-2011137390-A1 TREATMENT OF MAJOR ADVERSE CARDIAC EVENTS AND ACUTE CORONARY SYNDROME IN DIABETIC PATIENTS USING SECRETORY PHOSPHOLIPASE A2 (SPLA2) INHIBITOR OR SPLA2 INHIBITOR COMBINATION THERAPIES ANTHERA PHARMACEUTICALS, INC. (US) 2011-11-03 WO disclosed