SCHEMBL10018487

SCHEMBL10018487

C=Cc1ccc(-c2ccc(-n3c4ccncc4c4cnccc43)cc2C)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADH5 P11766 4/20 0.36
CACNA1B Q00975 2/20 0.34
HTT P42858 1/20 0.32
AOC3 Q16853 3/20 0.32
BTK Q06187 3/20 0.32
SLC2A1 P11166 1/20 0.31
CYP19A1 P11511 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
VCP P55072 1/20 0.31
NFATC1 O95644 1/20 0.30
GSK3B P49841 1/20 0.30
DYRK1A Q13627 1/20 0.30

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
SCHEMBL10018490 0.87 HTT (0.35) HTTAOC3BTK
SCHEMBL13098376 0.84 AOC3 (0.36) ADH5HTTAOC3CYP19A1ALDH1A1
SCHEMBL5028258 0.83 CYP19A1 (0.38) AOC3CYP19A1ALDH1A1POLBL3MBTL1
SCHEMBL14424740 0.82 MAOA (0.42) ADH5AOC3L3MBTL1
SCHEMBL10018483 0.79 CYP19A1 (0.35) AOC3BTKCYP19A1ALDH1A1POLB
SCHEMBL261485 0.79 MAOA (0.43) HTTAOC3L3MBTL1
SCHEMBL261774 0.79 MAOA (0.43) HTTAOC3L3MBTL1
SCHEMBL261829 0.79 MAOA (0.43) HTTAOC3L3MBTL1
SCHEMBL19888294 0.78 MAOA (0.33) AOC3BTK
SCHEMBL10018489 0.78 ADH5 (0.34) ADH5HTTAOC3ALDH1A1NFATC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101699-B2 Electron-transporting polymers GENERAL ELECTRIC COMPANY (US) 2012-01-24 US disclosed
US-8101699-B2 Electron-transporting polymers GENERAL ELECTRIC COMPANY (US) 2012-01-24 US disclosed
US-20100137538-A1 ELECTRON-TRANSPORTING POLYMERS GENERAL ELECTRIC COMPANY (US) 2010-06-03 US disclosed
US-20100137538-A1 ELECTRON-TRANSPORTING POLYMERS GENERAL ELECTRIC COMPANY (US) 2010-06-03 US disclosed