SCHEMBL14770874

SCHEMBL14770874

COc1cc(N(c2ccccc2)c2ccccc2)ccc1-c1cccn1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
PIK3R1 P27986 1/20 0.41
PIK3CA P42336 1/20 0.41
SLC16A3 O15427 1/20 0.40
SLC16A1 P53985 1/20 0.40
MET P08581 1/20 0.40
AXL P30530 1/20 0.40
MERTK Q12866 1/20 0.40
TNK2 Q07912 1/20 0.36
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
BUB1 O43683 1/20 0.34
ROCK2 O75116 1/20 0.34
TSHR P16473 1/20 0.33
ATR Q13535 1/20 0.33
BCHE P06276 1/20 0.33
SUV39H2 Q9H5I1 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
AKR1C3 P42330 1/20 0.32

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
SCHEMBL19718909 0.84 MET (0.47) HSP90AA1HSP90AB1PIK3R1PIK3CAMET
SCHEMBL19953372 0.82 HSP90AA1 (0.51) HSP90AA1HSP90AB1PIK3R1PIK3CAMET
SCHEMBL14770848 0.81 HSP90AA1 (0.47) HSP90AA1HSP90AB1PIK3R1PIK3CAMET
SCHEMBL14770871 0.79 HSP90AA1 (0.49) HSP90AA1HSP90AB1PIK3R1PIK3CAMET
SCHEMBL22036737 0.75 HSP90AA1 (0.53) HSP90AA1HSP90AB1PIK3R1PIK3CAMET
SCHEMBL30231941 0.75 PIK3R1 (0.54) HSP90AA1HSP90AB1PIK3R1PIK3CAMET
SCHEMBL5991785 0.74 HSP90AA1 (0.44) HSP90AA1HSP90AB1PIK3R1PIK3CAMET
SCHEMBL6040619 0.74 HSP90AA1 (0.44) HSP90AA1HSP90AB1PIK3R1PIK3CAMET
SCHEMBL31533137 0.73 HSP90AA1 (0.54) HSP90AA1HSP90AB1PIK3R1PIK3CAMET
SCHEMBL3693171 0.73 HSP90AA1 (0.45) HSP90AA1HSP90AB1PIK3R1PIK3CAMET

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-2013035303-A1 ORGANIC THIN FILM SOLAR CELL MATERIAL 出光興産株式会社 (JP) 2013-03-14 WO disclosed