SCHEMBL9544601

SCHEMBL9544601

C1=CC2=C(CC1)c1ccccc12

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.33
MEN1 O00255 1/20 0.31
CDC25B P30305 1/20 0.31
KMT2A Q03164 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
SCHEMBL21217189 0.98 TRPA1 (0.33) TRPA1
Fluorene SCHEMBL27584869 0.89 MAOA (0.44)
SCHEMBL17936809 0.84 MEN1 (0.46) TRPA1MEN1CDC25BKMT2A
SCHEMBL9181176 0.84 PTPRC (0.44) TRPA1MEN1CDC25BKMT2A
SCHEMBL12672548 0.84 MEN1 (0.41) TRPA1MEN1CDC25BKMT2A
SCHEMBL12682283 0.82 MEN1 (0.44) TRPA1MEN1CDC25BKMT2A
SCHEMBL25734177 0.79 NPC1 (0.47)
SCHEMBL26052193 0.78 PTPRC (0.41)
SCHEMBL20198218 0.77 ALDH1A1 (0.41)
SCHEMBL14373992 0.75

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100544062-C The light-emitting component of light emitting element material and this material of use TORAY INDUSTRIES (JP) 2009-09-23 CN disclosed
CN-100541856-C The light-emitting component of light emitting element material and this material of use TORAY INDUSTRIES (JP) 2009-09-16 CN disclosed
CN-1956238-A Luminescent element material and luminescent element comprising the same TORAY INDUSTRIES (JP) 2007-05-02 CN disclosed
CN-1956237-A Luminescent element material and luminescent element comprising the same TORAY INDUSTRIES (JP) 2007-05-02 CN disclosed
WO-1993019156-A1 PROCESS FOR PREPARING CONCENTRATED IMIDAZOLINE FABRIC SOFTENER COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1993-09-30 WO disclosed