SCHEMBL17864182

SCHEMBL17864182

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc6ccc7c8ccccc8ccc7c6c54)c3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
ATM Q13315 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CYP1A2 P05177 3/20 0.35
ERBB2 P04626 1/20 0.35
FYN P06241 1/20 0.35
MAOA P21397 1/20 0.35
ACHE P22303 1/20 0.35
AHR P35869 1/20 0.35
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
RECQL P46063 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
THRB P10828 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL17864168 0.93 ALDH1A1 (0.36) KDM4EATML3MBTL1CYP1A2ERBB2
SCHEMBL17864147 0.93 KDM4E (0.39) KDM4EATML3MBTL1CYP1A2MAPT
SCHEMBL17864158 0.92 MEN1 (0.36) KDM4EATML3MBTL1CYP1A2ERBB2
SCHEMBL17206521 0.92 L3MBTL1 (0.40) KDM4EATML3MBTL1MAPTHSD17B10
SCHEMBL16726719 0.89 KDM4E (0.40) KDM4EATML3MBTL1ERBB2MAPT
SCHEMBL26007551 0.88 PDPK1 (0.37) KDM4EATML3MBTL1MAPTSMN1; SMN2
SCHEMBL17071123 0.88 MEN1 (0.34) KDM4EATML3MBTL1CYP1A2ERBB2
SCHEMBL26007468 0.88 KDM4E (0.36) KDM4EATML3MBTL1CYP1A2MAPT
SCHEMBL24036941 0.88 KMT2A (0.38) KDM4EATML3MBTL1MAPTHSD17B10
SCHEMBL17864183 0.88 RAC2 (0.34) KDM4EATML3MBTL1CYP1A2ERBB2

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-2016099037-A2 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2016-06-23 WO disclosed