SCHEMBL9503128

SCHEMBL9503128

Nc1c(C(=O)O[C@@H]2CC[C@@H]3CC(F)CCC3C2)cc(SCc2ccccc2)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 0.35
THRB P10828 2/20 0.35
MAPK1 P28482 2/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
PKM P14618 1/20 0.35
MCL1 Q07820 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GRK6 P43250 1/20 0.33
CA2 P00918 3/20 0.33
CA4 P22748 3/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA6 P23280 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA13 Q8N1Q1 2/20 0.33
CA14 Q9ULX7 2/20 0.33

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
SCHEMBL9503124 1.00 MEN1 (0.35) MEN1KMT2AMAPTTHRBMAPK1
SCHEMBL9503054 0.91 MEN1 (0.36) MEN1KMT2AMAPTTHRBMAPK1
SCHEMBL9503047 0.91 MEN1 (0.36) MEN1KMT2AMAPTTHRBMAPK1
SCHEMBL9501708 0.86 HTR3E (0.35) MEN1KMT2AMAPTTHRBMAPK1
SCHEMBL9501703 0.86 HTR3E (0.35) MEN1KMT2AMAPTTHRBMAPK1
SCHEMBL9502339 0.86 CA12 (0.33) MEN1KMT2AMAPTTHRBMAPK1
SCHEMBL9502337 0.86 CA12 (0.33) MEN1KMT2AMAPTTHRBMAPK1
SCHEMBL9505289 0.85 MAPT (0.33) MEN1KMT2AMAPTTHRBMAPK1
SCHEMBL9505294 0.85 MAPT (0.33) MEN1KMT2AMAPTTHRBMAPK1
SCHEMBL9505220 0.84 MAPT (0.32) MEN1KMT2AMAPTTHRBMAPK1

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