SCHEMBL17954501

SCHEMBL17954501

CC1(C)c2ccccc2N(c2ccc(-c3cccc4cccc(C#N)c34)cc2)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 10/20 0.42
▸ PDE6D O43924 1/20 0.40
▸ ESR2 Q92731 1/20 0.35
▸ PDK2 Q15119 1/20 0.34
▸ PPARG P37231 2/20 0.34
▸ AR P10275 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL17954516 0.88 PDE6D (0.40) PGRPDE6DESR2PDK2PPARG
SCHEMBL17954492 0.83 PDE6D (0.41) PGRPDE6DESR2PDK2PPARG
SCHEMBL30060317 0.82 PGR (0.44) PGRESR2ARALDH1A1MEN1
SCHEMBL17883156 0.82 PGR (0.44) PGRESR2ARALDH1A1MEN1
SCHEMBL17483340 0.82 PGR (0.44) PGRESR2ARALDH1A1MEN1
SCHEMBL17954513 0.82 MAPT (0.37) PGRPDK2ALDH1A1MEN1KMT2A
SCHEMBL17954469 0.81 PDE6D (0.41) PDE6DESR2PPARGALDH1A1MEN1
SCHEMBL19755493 0.79 PGR (0.38) PGRESR2PPARGAR
SCHEMBL17483442 0.78 PGR (0.42) PGRARALDH1A1MEN1KMT2A
SCHEMBL17955118 0.78 PGR (0.41) PGRESR2ARALDH1A1

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-3247768-B1 NAPHTHYL SUBSTITUTED ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC COMPONENTS CYNORA GMBH (DE) 2019-03-13 — — EP disclosed
WO-2016116510-A1 NAPTHYL-SUBSTITUTED ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC COMPONENTS CYNORA GMBH (DE) 2016-07-28 — — WO disclosed
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