SCHEMBL4584548

SCHEMBL4584548

c1cc2c(s1)CCc1ccsc1-2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.47
CHEK1 O14757 1/20 0.47
AURKA O14965 1/20 0.47
DAPK3 O43293 1/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47
PAK4 O96013 1/20 0.47
PIM1 P11309 1/20 0.47
PDGFRA P16234 1/20 0.47
PRKACA P17612 1/20 0.47
LTK P29376 1/20 0.47
GRK5 P34947 1/20 0.47
KDR P35968 1/20 0.47
MAP2K2 P36507 1/20 0.47
FLT3 P36888 1/20 0.47
MAPK8 P45983 1/20 0.47
MAPK9 P45984 1/20 0.47
CSNK1A1 P48729 1/20 0.47
CDK8 P49336 1/20 0.47
CLK2 P49760 1/20 0.47

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
SCHEMBL15763737 0.80 NOS3 (0.52) PLK4CHEK1AURKADAPK3PRKD3
SCHEMBL1820514 0.79 CES1 (0.41) PLK4CHEK1AURKADAPK3PRKD3
SCHEMBL5109816 0.76 CES1 (0.46) NOS2NOS3DRD2DRD3ADRA2A
SCHEMBL12160894 0.73 NOS3 (0.47) PLK4CHEK1AURKADAPK3PRKD3
SCHEMBL8936321 0.71 CES1 (0.48) NOS2NOS3DRD2DRD3ADRA2A
SCHEMBL14128088 0.71 NOS3 (0.38) NOS2NOS3DRD2DRD3ADRA2A
SCHEMBL17225406 0.70 NOS2 (0.45) PLK4CHEK1AURKADAPK3PRKD3
SCHEMBL10263479 0.70
SCHEMBL13845108 0.70
SCHEMBL350515 0.70

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
US-20130098429-A1 SOLAR CELL MODULE MITSUBISHI CHEMICAL CORPORATION (JP) 2013-04-25 US disclosed
EP-2581944-A1 SOLAR CELL MODULE Mitsubishi Chemical Corporation (JP) 2013-04-17 EP disclosed
US-20080262183-A1 Dithienopyrrole-containing copolymers HONEYWELL INTERNATIONAL INC 2008-10-23 US disclosed