SCHEMBL16484845

SCHEMBL16484845

c1ccc(-n2c(-c3ccc4ccc5c(-c6cc(-c7ccncc7)cc(-c7ccncc7)c6)ccc6ccc3c4c65)nc3ccccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.44
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ESR2 Q92731 4/20 0.41
▸ ESR1 P03372 3/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ PRKACA P17612 1/20 0.38
▸ RPS6KB1 P23443 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ GSR P00390 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ RPS6KA5 O75582 1/20 0.37
▸ AOC3 Q16853 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ KCNH2 Q12809 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
SCHEMBL16483382 0.94 MEN1 (0.42) RECQLMEN1KMT2AHSP90AA1MAPT
SCHEMBL16483463 0.93 MEN1 (0.45) RECQLMEN1KMT2AHSP90AA1MAPT
SCHEMBL16484865 0.90 RECQL (0.48) RECQLMEN1KMT2AESR2ESR1
SCHEMBL16484904 0.88 MAPT (0.42) RECQLMAPTESR2ESR1MAPK1
SCHEMBL16483051 0.87 MEN1 (0.49) RECQLMEN1KMT2AHSP90AA1MAPT
SCHEMBL16484878 0.85 RECQL (0.42) RECQLESR2ESR1MAPK1HTT
SCHEMBL11954062 0.81 RECQL (0.47) RECQLESR2ESR1MAPK1HTT
SCHEMBL12232040 0.81 MAPT (0.38) RECQLMEN1KMT2AHSP90AA1MAPT
SCHEMBL12611887 0.81 RECQL (0.46) RECQLESR2ESR1MAPK1HTT
SCHEMBL11954068 0.80 RECQL (0.44) RECQLMAPTESR2ESR1MAPK1

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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