SCHEMBL9504302

SCHEMBL9504302

CCc1cc(C(=O)OC2CCC3CC(Cl)CCC3C2)c(N)c2c1C(=O)c1ccccc1C2=S

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 6/20 0.33
HTR3B O95264 6/20 0.33
HTR3A P46098 6/20 0.33
HTR3D Q70Z44 6/20 0.33
HTR3C Q8WXA8 6/20 0.33
MEN1 O00255 3/20 0.32
MAPT P10636 3/20 0.32
KMT2A Q03164 3/20 0.32
KDM4E B2RXH2 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
THRB P10828 2/20 0.32
MAPK1 P28482 2/20 0.32
GRK6 P43250 1/20 0.32
USP2 O75604 1/20 0.32
PKM P14618 1/20 0.32
MCL1 Q07820 1/20 0.32
POLB P06746 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 2/20 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
SCHEMBL9503099 0.85 SCN1A (0.32) MEN1MAPTKMT2AKDM4ENPSR1
SCHEMBL9501719 0.85 HTR3E (0.34) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9502318 0.82 MEN1 (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9502313 0.82 MEN1 (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9504263 0.81 MAPT (0.34) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9504266 0.81 MAPT (0.34) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9505348 0.81 MAPT (0.34) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9505343 0.81 MAPT (0.34) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9501664 0.81 SCN1A (0.33) MEN1MAPTKMT2ANPSR1MAPK1
SCHEMBL10580668 0.81 ALDH1A1 (0.33) HTR3EHTR3BHTR3AHTR3DHTR3C

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