SCHEMBL13372245

SCHEMBL13372245

C=C(/C=C\C=C/C)N(c1ccccc1)c1ccc(/C=C/c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 3/20 0.36
▸ RELA Q04206 1/20 0.34
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CTNNB1 P35222 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ APP P05067 1/20 0.32
▸ PADI4 Q9UM07 2/20 0.31
▸ ASAH1 Q13510 1/20 0.31
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ KLF5 Q13887 1/20 0.31
▸ KDM4E B2RXH2 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
SCHEMBL22643654 0.80 NPSR1 (0.38) TRPM8MEN1KMT2AALDH1A1MAPT
SCHEMBL14541392 0.80 — —
SCHEMBL17550355 0.78 — —
SCHEMBL25733615 0.78 ALDH1A1 (0.36) TRPM8MEN1KMT2AALDH1A1MAPT
SCHEMBL23764143 0.77 TNF (0.32) —
SCHEMBL19445063 0.76 TRPM8 (0.31) TRPM8
SCHEMBL22814367 0.75 — —
SCHEMBL20209041 0.74 KDM4E (0.33) ALDH1A1MAPTTDP1L3MBTL1KDM4E
SCHEMBL13854707 0.74 RXRA (0.36) —
SCHEMBL20814247 0.73 — —

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-2010050779-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME GRACEL DISPLAY INC. (KR) 2010-05-06 — — WO disclosed
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