SCHEMBL9505348

SCHEMBL9505348

CCNc1cc(C(=O)O[C@@H]2CC[C@@H]3CC(Cl)CCC3C2)c(N)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
MAPK1 P28482 3/20 0.34
PKM P14618 2/20 0.34
GRK6 P43250 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
THRB P10828 1/20 0.34
KMT2A Q03164 1/20 0.34
MCL1 Q07820 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
P2RY2 P41231 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
P2RY4 P51582 6/20 0.33
HPGD P15428 3/20 0.33
P2RY12 Q9H244 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
HTR3E A5X5Y0 2/20 0.32
HTR3B O95264 2/20 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
SCHEMBL9505343 1.00 MAPT (0.34) MAPTMAPK1PKMGRK6KDM4E
SCHEMBL9501396 0.92 MAPT (0.36) MAPTMAPK1PKMGRK6KDM4E
SCHEMBL9504393 0.92 MAPT (0.35) MAPTMAPK1PKMGRK6KDM4E
SCHEMBL9504389 0.92 MAPT (0.35) MAPTMAPK1PKMGRK6KDM4E
SCHEMBL9501394 0.92 MAPT (0.36) MAPTMAPK1PKMGRK6KDM4E
SCHEMBL9502995 0.90 GNG2 (0.36) MAPTMAPK1PKMGRK6KDM4E
SCHEMBL9502991 0.90 GNG2 (0.36) MAPTMAPK1PKMGRK6KDM4E
SCHEMBL10580492 0.85 P2RY2 (0.47) P2RY2P2RY4P2RY12
SCHEMBL9502318 0.85 MEN1 (0.50) MAPTMAPK1PKMGRK6KDM4E
SCHEMBL9502313 0.85 MEN1 (0.50) MAPTMAPK1PKMGRK6KDM4E

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