SCHEMBL16483530

SCHEMBL16483530

c1cnc2nc(-c3ccc4ccc5c(-c6cc(-c7ccncc7)cc(-c7ccncc7)c6)ccc6ccc3c4c65)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CYP2C9 P11712 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ AR P10275 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ MIF P14174 1/20 0.32
▸ PDGFRB P09619 1/20 0.32
▸ PDGFRA P16234 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PIK3CA P42336 1/20 0.32

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
SCHEMBL16483503 0.88 KDM4E (0.44) KDM4ENPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL28124903 0.82 ALDH1A1 (0.40) KDM4EL3MBTL1ALDH1A1MAPTHPGD
SCHEMBL16483028 0.82 ALDH1A1 (0.40) KDM4ENPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL16483793 0.82 ALDH1A1 (0.40) KDM4ENPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL16483473 0.80 MAPT (0.41) KDM4ENPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL12269043 0.80 ALDH1A1 (0.40) KDM4EL3MBTL1ALDH1A1MAPTHPGD
SCHEMBL16483782 0.79 MAPT (0.41) KDM4ENPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL16483327 0.79 NPC1 (0.40) KDM4ENPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL16483031 0.79 CDK2 (0.45) KDM4ENPC1RAB9AL3MBTL1MAPT
SCHEMBL16483278 0.79 NPC1 (0.50) KDM4ENPC1RAB9AL3MBTL1ALDH1A1

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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