SCHEMBL9501664

SCHEMBL9501664

Cc1ccc(CCc2cc(C(=O)OC3CCC4CCCCC4C3)c(N)c3c2C(=O)c2ccccc2C3=S)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32
STAT3 P40763 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
KCNH2 Q12809 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPK1 P28482 1/20 0.31
ATM Q13315 1/20 0.31
OPRL1 P41146 1/20 0.31

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
SCHEMBL9501447 0.92 SCN1A (0.33) SCN1ASCN2ASCN3AMAPTMEN1
SCHEMBL9501371 0.92 SCN1A (0.33) SCN1ASCN2ASCN3AMAPTMEN1
SCHEMBL9505227 0.90 SCN1A (0.31) SCN1ASCN2ASCN3A
SCHEMBL9501719 0.88 HTR3E (0.34) MAPTMEN1PKMKMT2ASMN1; SMN2
SCHEMBL9501652 0.82 MAPT (0.32) SCN1ASCN2ASCN3AMAPTMEN1
SCHEMBL9504302 0.81 HTR3E (0.33) MAPTMEN1ALDH1A1LMNAPKM
SCHEMBL9501758 0.80 P2RY4 (0.40) MAPTMEN1ALDH1A1LMNAPKM
SCHEMBL9501751 0.80 P2RY4 (0.40) MAPTMEN1ALDH1A1LMNAPKM
SCHEMBL9505289 0.80 MAPT (0.33) MAPTMEN1ALDH1A1LMNAPKM
SCHEMBL9505294 0.80 MAPT (0.33) MAPTMEN1ALDH1A1LMNAPKM

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