SCHEMBL9503123

SCHEMBL9503123

Nc1cc(C(=O)O[C@@H]2CC[C@@H]3CCCCC3C2)c(N)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
MAPT P10636 4/20 0.51
MAPK1 P28482 3/20 0.51
THRB P10828 2/20 0.51
KDM4E B2RXH2 2/20 0.51
MCL1 Q07820 2/20 0.51
GRK6 P43250 1/20 0.51
USP2 O75604 1/20 0.51
PKM P14618 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ALDH1A1 P00352 4/20 0.36
POLB P06746 3/20 0.36
LMNA P02545 2/20 0.36
RECQL P46063 1/20 0.36
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 1/20 0.35
CSNK1A1 P48729 2/20 0.35

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
SCHEMBL9503120 1.00 MEN1 (0.51) MEN1KMT2AMAPTMAPK1THRB
SCHEMBL9502313 0.91 MEN1 (0.50) MEN1KMT2AMAPTMAPK1THRB
SCHEMBL9501661 0.91 MAPT (0.50) MEN1KMT2AMAPTMAPK1THRB
SCHEMBL9501671 0.91 MAPT (0.50) MEN1KMT2AMAPTMAPK1THRB
SCHEMBL9502318 0.91 MEN1 (0.50) MEN1KMT2AMAPTMAPK1THRB
SCHEMBL9501621 0.90 MEN1 (0.49) MEN1KMT2AMAPTMAPK1THRB
SCHEMBL9501616 0.90 MEN1 (0.49) MEN1KMT2AMAPTMAPK1THRB
SCHEMBL9501297 0.87 GNG2 (0.37) MEN1KMT2AMAPTMAPK1THRB
SCHEMBL9503142 0.87 MAPT (0.37) MEN1KMT2AMAPTMAPK1THRB
SCHEMBL9501305 0.87 GNG2 (0.37) MEN1KMT2AMAPTMAPK1THRB

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