SCHEMBL9501351

SCHEMBL9501351

CCSc1cc(C(=O)O[C@@H]2CC[C@@H]3CC(OC)CCC3C2)c(N)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
THRB P10828 2/20 0.35
MAPK1 P28482 2/20 0.35
KDM4E B2RXH2 2/20 0.35
USP2 O75604 2/20 0.35
PKM P14618 2/20 0.35
GRK6 P43250 1/20 0.35
MCL1 Q07820 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 4/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTR3E A5X5Y0 7/20 0.33
HTR3B O95264 7/20 0.33
HTR3A P46098 7/20 0.33
HTR3D Q70Z44 7/20 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
SCHEMBL9501347 1.00 MAPT (0.35) MAPTMEN1KMT2ATHRBMAPK1
SCHEMBL9502437 0.93 MAPT (0.35) MAPTMEN1KMT2ATHRBMAPK1
SCHEMBL9504266 0.92 MAPT (0.34) MAPTMEN1KMT2ATHRBMAPK1
SCHEMBL9504263 0.92 MAPT (0.34) MAPTMEN1KMT2ATHRBMAPK1
SCHEMBL9501615 0.90 MAPT (0.37) MAPTMEN1KMT2ATHRBMAPK1
SCHEMBL9501619 0.90 MAPT (0.37) MAPTMEN1KMT2ATHRBMAPK1
SCHEMBL9501429 0.87 ADORA2A (0.48) MAPTMEN1KMT2ATHRBMAPK1
SCHEMBL9501425 0.87 ADORA2A (0.48) MAPTMEN1KMT2ATHRBMAPK1
SCHEMBL9503220 0.86 SOAT1 (0.34) MAPTMEN1KMT2ATHRBMAPK1
SCHEMBL9503219 0.86 SOAT1 (0.34) 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