SCHEMBL25634740

SCHEMBL25634740

COc1ccc(Nc2ccc(OC)cc2C)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.80
MAPT P10636 6/20 0.59
RAB9A P51151 4/20 0.59
MAPK1 P28482 3/20 0.59
TDP1 Q9NUW8 3/20 0.59
KDM4E B2RXH2 2/20 0.59
THRB P10828 2/20 0.59
RECQL P46063 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
NPC1 O15118 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
ADRA2A P08913 1/20 0.55
ADRA2C P18825 1/20 0.55
ADRA1D P25100 1/20 0.55
ADRA1A P35348 1/20 0.55
ADRA1B P35368 1/20 0.55
ALDH1A1 P00352 4/20 0.55
AKR1C3 P42330 3/20 0.54
AKR1C2 P52895 3/20 0.54
POLB P06746 2/20 0.54

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
SCHEMBL2952972 0.93 GAA (0.75) GAAMAPTRAB9AMAPK1TDP1
SCHEMBL6999192 0.93 GAA (0.75) GAAMAPTRAB9AMAPK1TDP1
SCHEMBL9479715 0.90 GAA (0.93) GAAMAPTRAB9AMAPK1TDP1
SCHEMBL7002502 0.90 GAA (0.71) GAAMAPTRAB9AMAPK1TDP1
SCHEMBL502786 0.89 GAA (1.00) GAAMAPTRAB9AMAPK1NPC1
SCHEMBL9629642 0.89 GAA (0.65) GAAMAPTRAB9AMAPK1TDP1
SCHEMBL10655147 0.87 GAA (0.82) GAAMAPTRAB9AMAPK1TDP1
SCHEMBL21131527 0.86 GAA (0.61) GAAMAPTRAB9AMAPK1TDP1
SCHEMBL186343 0.86 NR4A1 (0.62) GAAMAPTRAB9AMAPK1TDP1
SCHEMBL11555581 0.86 GAA (0.61) GAAMAPTRAB9AMAPK1TDP1

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
US-20230150254-A1 ON-PRESS DEVELOPMENT TYPE LITHOGRAPHIC PRINTING PLATE PRECURSOR, METHOD OF PREPARING LITHOGRAPHIC PRINTING PLATE, AND LITHOGRAPHIC PRINTING METHOD FUJIFILM CORPORATION (JP) 2023-05-18 US disclosed