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) —
SCHEMBL12672548 0.84 MEN1 (0.41) TRPA1MEN1CDC25BKMT2A
SCHEMBL17936809 0.84 MEN1 (0.46) TRPA1MEN1CDC25BKMT2A
SCHEMBL9181176 0.84 PTPRC (0.44) 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) —
SCHEMBL13160708 0.75 GPR35 (0.31) KMT2A

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
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