SCHEMBL17954469

SCHEMBL17954469

N#Cc1cccc2cccc(-c3ccc(N4c5ccccc5Sc5ccccc54)cc3)c12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDE6D O43924 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.39
▸ ESR2 Q92731 1/20 0.36
▸ FNTA P49354 1/20 0.34
▸ FNTB P49356 1/20 0.34
▸ PPARG P37231 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NR3C1 P04150 1/20 0.32
▸ TYMS P04818 1/20 0.32
▸ BCHE P06276 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ GPR84 Q9NQS5 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
SCHEMBL17954492 0.82 PDE6D (0.41) PDE6DESR2PPARGMEN1ALDH1A1
SCHEMBL17954507 0.81 MEN1 (0.38) HDAC6FNTAFNTBMEN1ALDH1A1
SCHEMBL17954516 0.81 PDE6D (0.40) PDE6DESR2PPARGNR3C1
SCHEMBL17954501 0.81 PGR (0.42) PDE6DESR2PPARGMEN1ALDH1A1
SCHEMBL17954496 0.79 PDE6D (0.41) PDE6DESR2PPARGSMN1; SMN2NR3C1
SCHEMBL17952682 0.77 PDE6D (0.43) PDE6DESR2PPARGMEN1ALDH1A1
SCHEMBL19345028 0.76 STS (0.42) HDAC6ESR2MEN1ALDH1A1KMT2A
SCHEMBL17949604 0.76 HDAC6 (0.39) HDAC6FNTAFNTBMEN1ALDH1A1
SCHEMBL19344939 0.76 HDAC6 (0.39) HDAC6ESR2FNTAFNTBMEN1
SCHEMBL17955091 0.75 HDAC6 (0.39) HDAC6MEN1ALDH1A1KMT2ABCHE

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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