SCHEMBL9550840

SCHEMBL9550840

COc1ccc(Nc2nc(Nc3ccc(OC)cc3)c3nc(Nc4ccc(OC)cc4)ncc3n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.64
SYK P43405 2/20 0.64
NPY5R Q15761 1/20 0.58
MERTK Q12866 3/20 0.53
CHEK1 O14757 1/20 0.53
NTRK2 Q16620 1/20 0.53
MEN1 O00255 3/20 0.50
MAPT P10636 3/20 0.50
KMT2A Q03164 3/20 0.50
NPC1 O15118 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPK1 P28482 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CDK5 Q00535 1/20 0.50
CDK5R1 Q15078 1/20 0.50
TP53 P04637 1/20 0.49

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
SCHEMBL9351742 0.85 MAPT (0.62) AURKASYKNPY5RMERTKMEN1
SCHEMBL9352009 0.79 AURKA (0.55) AURKASYKNPY5RMERTKMEN1
SCHEMBL655996 0.78 SYK (1.00) AURKASYKNTRK2NPC1RAB9A
SCHEMBL655648 0.75 SYK (0.92) AURKASYKNTRK2NPC1RAB9A
SCHEMBL11812041 0.75 MAPT (0.81) AURKASYKNPY5RMERTKMEN1
SCHEMBL2590796 0.74 NPY5R (0.97) NPY5RMERTKMEN1MAPTKMT2A
SCHEMBL10228970 0.74 SYK (0.89) AURKASYKNTRK2CDK5CDK1
SCHEMBL8909187 0.73 NPY5R (1.00) NPY5RMERTKMEN1MAPTKMT2A
SCHEMBL27914835 0.73 CHEK1 (0.67) AURKASYKMERTKCHEK1NTRK2
Hydrochloric Acid SCHEMBL8897702 0.73 NPY5R (0.94) NPY5RMERTKMEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5202357-A None JP disclosed
JP-H05202357-A ORGANIC ELECTROLUMINESCENCE ELEMENT PIONEER ELECTRON CORP 1993-08-10 JP disclosed