SCHEMBL16483382

SCHEMBL16483382

c1ccc(-n2c(-c3ccc4ccc5c(-c6cccc(-c7ccncc7)c6)ccc6ccc3c4c65)nc3ccccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ ESR1 P03372 2/20 0.42
▸ ESR2 Q92731 2/20 0.42
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ PIK3CA P42336 1/20 0.37
▸ PRKACA P17612 1/20 0.37
▸ RPS6KB1 P23443 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ ROCK1 Q13464 1/20 0.37
▸ GSR P00390 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ GAA P10253 1/20 0.36

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
SCHEMBL16484845 0.94 RECQL (0.44) MEN1KMT2AMAPTHSP90AA1RECQL
SCHEMBL16483463 0.91 MEN1 (0.45) MEN1KMT2AMAPTHSP90AA1RECQL
SCHEMBL16483051 0.85 MEN1 (0.49) MEN1KMT2AMAPTHSP90AA1RECQL
SCHEMBL12232040 0.85 MAPT (0.38) MEN1KMT2AMAPTHSP90AA1RECQL
SCHEMBL16484865 0.85 RECQL (0.48) MEN1KMT2ARECQLESR1ESR2
SCHEMBL12611786 0.85 RECQL (0.44) MEN1KMT2AMAPTRECQLESR1
SCHEMBL16484904 0.84 MAPT (0.42) MAPTRECQLESR1ESR2MAPK1
SCHEMBL14506134 0.81 ESR1 (0.44) MEN1KMT2AMAPTRECQLESR1
SCHEMBL16604618 0.81 ESR1 (0.48) MEN1KMT2AMAPTHSP90AA1RECQL
SCHEMBL12912433 0.81 ESR1 (0.49) MEN1KMT2AMAPTRECQLESR1

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-2014057873-A1 PHOSPHINE OXIDE DERIVATIVE AND LIGHT-EMITTING ELEMENT PROVIDED WITH SAME 東レ株式会社 (JP) 2014-04-17 — — WO disclosed
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