SCHEMBL9505273

SCHEMBL9505273

COC1CCC2CC(OC(=O)c3cc(-c4ccccc4)c4c(c3N)C(=S)c3ccccc3C4=O)CCC2C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 2/20 0.37
SCN2A Q99250 2/20 0.37
SCN3A Q9NY46 2/20 0.37
MAPT P10636 3/20 0.34
MEN1 O00255 2/20 0.34
THRB P10828 2/20 0.34
MAPK1 P28482 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
PKM P14618 1/20 0.34
MCL1 Q07820 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTR3E A5X5Y0 6/20 0.34
HTR3B O95264 6/20 0.34
HTR3A P46098 6/20 0.34
HTR3D Q70Z44 6/20 0.34
HTR3C Q8WXA8 6/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 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
SCHEMBL9503045 0.94 HCRTR1 (0.33) SCN1ASCN2ASCN3AMAPTMEN1
SCHEMBL10584889 0.87 SCN1A (0.40) SCN1ASCN2ASCN3AMAPTMAPK1
SCHEMBL9503099 0.86 SCN1A (0.32) SCN1ASCN2ASCN3AMAPTMEN1
SCHEMBL9501602 0.86 ALDH1A1 (0.33) SCN1ASCN2ASCN3AMAPTMEN1
SCHEMBL10580668 0.85 ALDH1A1 (0.33) SCN1ASCN2ASCN3AMAPTMAPK1
SCHEMBL9501671 0.83 MAPT (0.50) SCN1ASCN2ASCN3AMAPTMEN1
SCHEMBL9501661 0.83 MAPT (0.50) SCN1ASCN2ASCN3AMAPTMEN1
SCHEMBL9503042 0.82 HTR3E (0.36) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9501644 0.80 GNG2 (0.37) MAPTMEN1THRBMAPK1KMT2A
SCHEMBL9501647 0.80 GNG2 (0.37) 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 2 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