SCHEMBL17533072

SCHEMBL17533072

Nc1ccccc1C1=CCCC(c2cccc(-c3ccc(Nc4ccccc4)c(-c4cccc(-c5cccc(-c6ccccc6S)c5)c4)c3)c2)=C1

nearest known ligand 0.30

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.30
▸ MEN1 O00255 2/20 0.30
▸ ALDH1A1 P00352 2/20 0.30
▸ GAA P10253 2/20 0.30
▸ MAPT P10636 2/20 0.30
▸ KMT2A Q03164 2/20 0.30
▸ LMNA P02545 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ GFER P55789 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL17468618 0.90 — —
SCHEMBL17533138 0.86 GAA (0.41) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL17661314 0.78 ALK (0.40) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL10255576 0.78 ALDH1A1 (0.50) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL18767640 0.75 ALDH1A1 (0.50) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL17012663 0.75 SIRT2 (0.39) KDM4EMEN1GAAMAPTKMT2A
SCHEMBL17660914 0.73 SIRT2 (0.43) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL17573972 0.72 PLA2G2A (0.34) MEN1ALDH1A1GAAKMT2A
SCHEMBL17573767 0.70 ALOX5 (0.40) KDM4EALDH1A1LMNA
SCHEMBL17533069 0.69 NPSR1 (0.33) MEN1ALDH1A1KMT2ALMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016028110-A1 A PLURALITY OF HOST MATERIALS AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2016-02-25 — — WO disclosed
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