SCHEMBL17864100

SCHEMBL17864100

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc6c(ccc7c8ccccc8ccc67)cc54)c3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
ATM Q13315 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 2/20 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 3/20 0.35
HSD17B10 Q99714 3/20 0.35
HIF1A Q16665 1/20 0.35
CYP1B1 Q16678 1/20 0.35
CYP1A2 P05177 2/20 0.35
HPGD P15428 2/20 0.35
HPRT1 P00492 1/20 0.33
PLA2G10 O15496 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
ABCG2 Q9UNQ0 4/20 0.32
MEN1 O00255 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
SCHEMBL17864137 0.95 KDM4E (0.40) KDM4EATML3MBTL1MAPTSMN1; SMN2
SCHEMBL26007465 0.93 KDM4E (0.38) KDM4EATML3MBTL1MAPTSMN1; SMN2
SCHEMBL26007549 0.93 KDM4E (0.38) KDM4EATML3MBTL1MAPTSMN1; SMN2
SCHEMBL17864118 0.93 KDM4E (0.38) KDM4EATML3MBTL1MAPTSMN1; SMN2
SCHEMBL17864116 0.92 MEN1 (0.37) KDM4EATML3MBTL1MAPTSMN1; SMN2
SCHEMBL26006861 0.91 KDM4E (0.42) KDM4EATML3MBTL1MAPTSMN1; SMN2
SCHEMBL26006759 0.91 KDM4E (0.42) KDM4EATML3MBTL1MAPTSMN1; SMN2
SCHEMBL22883738 0.89 KDM4E (0.36) KDM4EATML3MBTL1MAPTSMN1; SMN2
SCHEMBL22884361 0.89 KDM4E (0.36) KDM4EATML3MBTL1MAPTSMN1; SMN2
SCHEMBL26007552 0.89 KDM4E (0.36) KDM4EATML3MBTL1MAPTSMN1; SMN2

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