SCHEMBL9501671

SCHEMBL9501671

COC1CCC2C[C@H](OC(=O)c3cc(N)c4c(c3N)C(=O)c3ccccc3C4=O)CC[C@@H]2C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
THRB P10828 3/20 0.50
MAPK1 P28482 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
KDM4E B2RXH2 2/20 0.50
MCL1 Q07820 2/20 0.50
GRK6 P43250 1/20 0.50
USP2 O75604 1/20 0.50
PKM P14618 1/20 0.50
ALDH1A1 P00352 4/20 0.36
POLB P06746 4/20 0.36
ADORA2A P29274 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
FGB P02675 1/20 0.36
PPARG P37231 1/20 0.36
RAB9A P51151 1/20 0.36
NCOA2 Q15596 1/20 0.36
NCOA1 Q15788 1/20 0.36

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
SCHEMBL9501661 1.00 MAPT (0.50) MAPTMEN1KMT2ATHRBMAPK1
SCHEMBL9501621 0.91 MEN1 (0.49) MAPTMEN1KMT2ATHRBMAPK1
SCHEMBL9501616 0.91 MEN1 (0.49) MAPTMEN1KMT2ATHRBMAPK1
SCHEMBL9503120 0.91 MEN1 (0.51) MAPTMEN1KMT2ATHRBMAPK1
SCHEMBL9503123 0.91 MEN1 (0.51) MAPTMEN1KMT2ATHRBMAPK1
SCHEMBL9502318 0.90 MEN1 (0.50) MAPTMEN1KMT2ATHRBMAPK1
SCHEMBL9502313 0.90 MEN1 (0.50) MAPTMEN1KMT2ATHRBMAPK1
SCHEMBL9501615 0.88 MAPT (0.37) MAPTMEN1KMT2ATHRBMAPK1
SCHEMBL9501647 0.88 GNG2 (0.37) MAPTMEN1KMT2ATHRBMAPK1
SCHEMBL9501619 0.88 MAPT (0.37) MAPTMEN1KMT2ATHRBMAPK1

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