SCHEMBL13999985

SCHEMBL13999985

Cc1ccccc1Cc1nc(Nc2ccccc2)nc(Nc2ccccc2C)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.52
ALDH1A1 P00352 1/20 0.52
SLC2A1 P11166 3/20 0.51
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 4/20 0.44
PKM P14618 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
NTSR1 P30989 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL4544839 0.85 SLC2A1 (0.65) NPSR1ALDH1A1SLC2A1NPC1RAB9A
SCHEMBL4544852 0.85 SLC2A1 (0.65) NPSR1ALDH1A1SLC2A1NPC1RAB9A
SCHEMBL14000279 0.81 SLC2A1 (0.60) NPSR1ALDH1A1SLC2A1NPC1RAB9A
SCHEMBL12642726 0.77 TSHR (0.46) ALDH1A1SLC2A1NPC1RAB9ALMNA
SCHEMBL13852851 0.77 MAPT (0.61) NPSR1ALDH1A1NPC1RAB9ALMNA
SCHEMBL13750837 0.76 HTT (0.59) NPSR1ALDH1A1SLC2A1NPC1RAB9A
SCHEMBL4544844 0.76 KCNH3 (0.55) NPSR1SLC2A1NPC1RAB9ASMN1; SMN2
SCHEMBL4544837 0.76 KCNH3 (0.55) NPSR1SLC2A1NPC1RAB9ASMN1; SMN2
SCHEMBL14063216 0.75 KCNH3 (0.63) NPSR1SLC2A1NPC1RAB9ASMN1; SMN2
SCHEMBL12963002 0.75 LMNA (0.46) NPSR1ALDH1A1SLC2A1NPC1RAB9A

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-2009001952-A1 LIQUID-CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2008-12-31 WO disclosed