SCHEMBL18174772

SCHEMBL18174772

Cc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc(C)nc5)c5ccccc45)c4ccccc34)cc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.42
TDO2 P48775 1/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
COMT P21964 1/20 0.38
PDE10A Q9Y233 1/20 0.37
HPGDS O60760 1/20 0.36
PTGS2 P35354 2/20 0.35
GBA1 P04062 1/20 0.34
JUN P05412 1/20 0.34
MAPK10 P53779 1/20 0.34
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
PADI4 Q9UM07 1/20 0.34
USP1 O94782 1/20 0.34
WDR48 Q8TAF3 1/20 0.34
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33

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
SCHEMBL18174793 0.92 CYP11B1 (0.42) MAPK10PIK3CADHODH
SCHEMBL17532877 0.90 NPC1 (0.44) PDK2TDO2NPC1PKMRAB9A
SCHEMBL18174754 0.90 PIK3CA (0.40) PDK2COMTHPGDSMAPK10PIK3CA
SCHEMBL18174784 0.87 WNT3A (0.44) PDK2PIK3CB
SCHEMBL18174769 0.86 PDK2 (0.36) PDK2TDO2NPC1PKMRAB9A
SCHEMBL18174766 0.86 TDO2 (0.37) PDK2TDO2NPC1PKMRAB9A
SCHEMBL9612931 0.86 DHFR (0.42) PDK2NPC1PKMRAB9AGBA1
SCHEMBL18174786 0.86 DHODH (0.47) PDK2TDO2COMTHPGDSPTGS2
SCHEMBL18174792 0.83 CYP17A1 (0.41) HPGDSDHODH
SCHEMBL18174761 0.83 GRM4 (0.39) PDK2COMTABL1PIK3CADHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9478750-B2 Anthracene derivative and organic electroluminescent element using the same JNC CORPORATION (JP) 2016-10-25 US disclosed
US-9478750-B2 Anthracene derivative and organic electroluminescent element using the same JNC CORPORATION (JP) 2016-10-25 US disclosed