SCHEMBL9504285

SCHEMBL9504285

Nc1c(C(=O)O[C@@H]2CC[C@@H]3CC(F)CCC3C2)cc(NCc2ccccc2)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY4 P51582 5/20 0.45
PKLR P30613 2/20 0.35
MAPT P10636 3/20 0.35
THRB P10828 2/20 0.35
MAPK1 P28482 2/20 0.35
GRK6 P43250 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35
MCL1 Q07820 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
KCNQ4 P56696 1/20 0.34
KCNQ5 Q9NR82 1/20 0.34
P2RY12 Q9H244 3/20 0.33
ALOX15 P16050 1/20 0.33
CISD1 Q9NZ45 1/20 0.32

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
SCHEMBL9504281 1.00 P2RY4 (0.45) P2RY4PKLRMAPTTHRBMAPK1
SCHEMBL9504399 0.91 P2RY4 (0.46) P2RY4PKLRMAPTTHRBMAPK1
SCHEMBL9504395 0.91 P2RY4 (0.46) P2RY4PKLRMAPTTHRBMAPK1
SCHEMBL9503140 0.86 P2RY4 (0.42) P2RY4PKLRMAPTTHRBMAPK1
SCHEMBL9503131 0.86 P2RY4 (0.42) P2RY4PKLRMAPTTHRBMAPK1
SCHEMBL9503114 0.86 P2RY4 (0.41) P2RY4PKLRMAPTTHRBMAPK1
SCHEMBL9503109 0.86 P2RY4 (0.41) P2RY4PKLRMAPTTHRBMAPK1
SCHEMBL9501758 0.85 P2RY4 (0.40) P2RY4PKLRMAPTMAPK1GRK6
SCHEMBL9501751 0.85 P2RY4 (0.40) P2RY4PKLRMAPTMAPK1GRK6
SCHEMBL9502251 0.84 P2RY4 (0.39) P2RY4PKLRMAPTTHRBMAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0307866-B1 DICHROIC COLORING AGENTS FOR LIQUID CRYSTAL DISPLAYS MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-05-12 EP disclosed
US-4883611-A ANTHRAQUINONE COMPOUND CONTAINING DECAHYDRONAPHTHYL GROUP MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1989-11-28 US disclosed
EP-0307866-A2 Dichroic coloring agents for liquid crystal displays MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-03-22 EP disclosed