SCHEMBL29330480

SCHEMBL29330480

Nc1ccc(Nc2ccc(F)cc2)c(N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.50
KDM4E B2RXH2 9/20 0.50
HSD17B10 Q99714 3/20 0.50
ALOX15 P16050 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 2/20 0.50
TP53 P04637 1/20 0.50
APP P05067 1/20 0.50
SNCA P37840 1/20 0.50
BLM P54132 1/20 0.50
MAPK14 Q16539 3/20 0.46
GAA P10253 9/20 0.46
ALDH1A1 P00352 7/20 0.46
TDP1 Q9NUW8 4/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 7/20 0.45
KMT2A Q03164 7/20 0.45
GFER P55789 5/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
RAPGEF4 Q8WZA2 1/20 0.45

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
SCHEMBL10531579 0.88 MAPT (0.63) MAPTKDM4EHSD17B10ALOX15SMN1; SMN2
SCHEMBL31402919 0.81 GAA (0.53) MAPTKDM4EHSD17B10ALOX15SMN1; SMN2
SCHEMBL3013794 0.81 MAPK14 (0.43) MAPTKDM4EHSD17B10ALOX15SMN1; SMN2
SCHEMBL29548950 0.81 MAPK14 (0.43) MAPTKDM4EHSD17B10ALOX15SMN1; SMN2
SCHEMBL10813238 0.81 GAA (0.61) MAPTKDM4EHSD17B10ALOX15SMN1; SMN2
SCHEMBL656253 0.80 GAA (0.69) MAPTKDM4EHSD17B10ALOX15SMN1; SMN2
SCHEMBL13937042 0.78 KDM4E (0.56) MAPTKDM4EHSD17B10ALOX15SMN1; SMN2
SCHEMBL11794649 0.78 MAPT (0.56) MAPTKDM4EHSD17B10ALOX15SMN1; SMN2
SCHEMBL22828956 0.78 TDP1 (0.40) MAPTKDM4EHSD17B10ALOX15SMN1; SMN2
SCHEMBL1336716 0.77 MAPT (0.62) MAPTKDM4EHSD17B10ALOX15SMN1; SMN2

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-2024147313-A1 HOLE TRANSPORTING MATERIAL 日本精化株式会社 2024-07-11 WO disclosed