SCHEMBL9501619

SCHEMBL9501619

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
THRB P10828 2/20 0.37
MAPK1 P28482 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 2/20 0.37
GRK6 P43250 1/20 0.37
USP2 O75604 1/20 0.37
PKM P14618 1/20 0.37
MCL1 Q07820 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ADORA2A P29274 1/20 0.34
ALDH1A1 P00352 2/20 0.33
POLB P06746 2/20 0.33
LMNA P02545 1/20 0.33
RECQL P46063 1/20 0.33
HTR3E A5X5Y0 7/20 0.32
HTR3B O95264 7/20 0.32
HTR3A P46098 7/20 0.32
HTR3D Q70Z44 7/20 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
SCHEMBL9501615 1.00 MAPT (0.37) MAPTMEN1THRBMAPK1KMT2A
SCHEMBL9503133 0.92 MAPT (0.37) MAPTMEN1THRBMAPK1KMT2A
SCHEMBL9503142 0.92 MAPT (0.37) MAPTMEN1THRBMAPK1KMT2A
SCHEMBL9502294 0.91 ALDH1A1 (0.37) MAPTMEN1THRBMAPK1KMT2A
SCHEMBL9501634 0.91 MAPT (0.36) MAPTMEN1THRBMAPK1KMT2A
SCHEMBL9501630 0.91 MAPT (0.36) MAPTMEN1THRBMAPK1KMT2A
SCHEMBL9502299 0.91 ALDH1A1 (0.37) MAPTMEN1THRBMAPK1KMT2A
SCHEMBL9501429 0.90 ADORA2A (0.48) MAPTMEN1THRBMAPK1KMT2A
SCHEMBL9501351 0.90 MAPT (0.35) MAPTMEN1THRBMAPK1KMT2A
SCHEMBL9501347 0.90 MAPT (0.35) MAPTMEN1THRBMAPK1KMT2A

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