SCHEMBL10455482

SCHEMBL10455482

CCc1cc(Cl)cc(CC)c1N=C=Nc1c(CC)cc(Cl)cc1CC

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.45
GABRB2 P47870 2/20 0.45
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL10615533 0.85 GABRA1 (0.64) GABRA1GABRB2
SCHEMBL20184775 0.80 GABRA1 (0.42) GABRA1GABRB2GAA
SCHEMBL10456535 0.80 GABRA1 (0.42) GABRA1GABRB2ALDH1A1GAA
SCHEMBL159089 0.77 GABRA1 (0.72) GABRA1GABRB2ALDH1A1
SCHEMBL10614846 0.76 GABRA1 (0.53) GABRA1GABRB2GRIN2DGRIN3BGRIN1
SCHEMBL10615712 0.74 GABRA1 (0.50) GABRA1GABRB2
SCHEMBL10611282 0.74 GABRA1 (0.50) GABRA1GABRB2
SCHEMBL156364 0.71 GABRA1 (0.57) GABRA1GABRB2MAPT
SCHEMBL23862482 0.69 TSHR (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21586425 0.69 ALDH1A1 (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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
US-4929665-A POLYSULFIDES AND POLYPHENYLENE SULFIDE SULFONES DAINIPPON INK AND CHEMICALS, INC. (JP) 1990-05-29 US disclosed
EP-0275991-A2 Thermoplastic resin composition DAINIPPON INK AND CHEMICALS, INC. (JP) 1988-07-27 EP disclosed