SCHEMBL9505227

SCHEMBL9505227

Cc1ccc(CCc2cc(C(=O)OC3CCC4CC(CC(C)C)CCC4C3)c(N)c3c2C(=O)c2ccccc2C3=S)cc1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 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
SCHEMBL9501371 0.90 SCN1A (0.33) SCN1ASCN2ASCN3A
SCHEMBL9501664 0.90 SCN1A (0.33) SCN1ASCN2ASCN3A
SCHEMBL9501447 0.89 SCN1A (0.33) SCN1ASCN2ASCN3A
SCHEMBL9505214 0.83 MEN1 (0.30)
SCHEMBL9504344 0.83 P2RY4 (0.39)
SCHEMBL9501719 0.79 HTR3E (0.34)
SCHEMBL9504302 0.78 HTR3E (0.33)
SCHEMBL9501602 0.78 ALDH1A1 (0.33) SCN1ASCN2ASCN3A
SCHEMBL9503045 0.77 HCRTR1 (0.33) SCN1ASCN2ASCN3A
SCHEMBL9503099 0.76 SCN1A (0.32) SCN1ASCN2ASCN3A

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