SCHEMBL8725293

SCHEMBL8725293

CCOc1cc(Nc2cc[c]cc2)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
FBP1 P09467 1/20 0.41
HTT P42858 3/20 0.40
EGFR P00533 3/20 0.39
LMNA P02545 2/20 0.39
ERBB2 P04626 1/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MAPT P10636 2/20 0.38
TSHR P16473 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.37
AURKA O14965 1/20 0.37
SYK P43405 1/20 0.36

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
SCHEMBL8725290 0.80 POLB (0.41) IDO1TDO2FBP1HTTEGFR
SCHEMBL8725864 0.75 NQO1 (0.54) HTTLMNAPOLBALDH1A1MAPT
SCHEMBL5542981 0.75 SOS1 (0.53) IDO1TDO2HPGDHSD17B10KDM4E
SCHEMBL1539296 0.73 L3MBTL1 (0.53) HTTLMNAPOLBALDH1A1MAPT
SCHEMBL17604220 0.72 HPGD (0.43) IDO1TDO2HTTLMNAPOLB
SCHEMBL11411112 0.71 MEN1 (0.44) HTTEGFRLMNAALDH1A1MAPT
SCHEMBL8727116 0.70 EGFR (0.45) HTTEGFRLMNAERBB2MAPT
SCHEMBL160145 0.70 L3MBTL1 (0.46) HTTLMNAPOLBALDH1A1MAPT
SCHEMBL8725869 0.69 EGFR (0.44) HTTEGFRLMNAALDH1A1MAPT
SCHEMBL29239940 0.68 MEN1 (0.49) HTTLMNAPOLBALDH1A1MAPT

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
EP-0832091-A1 C-4' MODIFIED ADENOSINE KINASE INHIBITORS GENSIA, INC. (US) 1998-04-01 EP disclosed
WO-1996040705-A1 C-4' MODIFIED ADENOSINE KINASE INHIBITORS GENSIA SICOR (US) 1996-12-19 WO disclosed