SCHEMBL626556

SCHEMBL626556

CC(=O)c1ccc2c(c1)c1cc(C(=O)c3ccccc3C)ccc1n2C

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.63
HTT P42858 2/20 0.63
KDM4E B2RXH2 1/20 0.51
HPGD P15428 2/20 0.45
MAPK13 O15264 2/20 0.43
MAPK12 P53778 2/20 0.43
MAPK11 Q15759 2/20 0.43
MAPK14 Q16539 2/20 0.43
MAPT P10636 3/20 0.40
GLA P06280 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FGFR1 P11362 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CNR2 P34972 1/20 0.39
NPY5R Q15761 1/20 0.39
NPC1 O15118 1/20 0.38

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
SCHEMBL31145039 1.00 ALDH1A1 (0.63) ALDH1A1HTTKDM4EHPGDMAPK13
SCHEMBL21578032 0.90 ALDH1A1 (0.64) ALDH1A1HTTKDM4EHPGDMAPK13
SCHEMBL29895715 0.86 HPGD (0.56) ALDH1A1HTTKDM4EHPGDMAPT
SCHEMBL625394 0.86 HPGD (0.56) ALDH1A1HTTKDM4EHPGDMAPT
SCHEMBL29503094 0.85 ALDH1A1 (0.52) ALDH1A1HTTKDM4EHPGDMAPT
SCHEMBL29353002 0.85 ALDH1A1 (0.52) ALDH1A1HTTKDM4EHPGDMAPT
SCHEMBL625638 0.85 ALDH1A1 (0.52) ALDH1A1HTTKDM4EHPGDMAPT
SCHEMBL1030850 0.84 ALDH1A1 (0.53) ALDH1A1HTTKDM4EHPGDMAPK13
SCHEMBL10098925 0.83 ALDH1A1 (0.53) ALDH1A1HTTKDM4EHPGDMAPK13
SCHEMBL9970780 0.83 ALDH1A1 (0.53) ALDH1A1HTTKDM4EHPGDMAPK13

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-2012020715-A1 BLUE CURABLE COMPOSITION, COLOR FILTER AND METHOD FOR PRODUCING THE SAME, SOLID-STATE IMAGE PICKUP DEVICE, AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2012-02-16 WO disclosed