SCHEMBL17864147

SCHEMBL17864147

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc6c7ccc8ccccc8c7ccc6c54)c3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
ATM Q13315 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
RECQL P46063 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
HPRT1 P00492 3/20 0.36
TDP1 Q9NUW8 2/20 0.35
PLA2G10 O15496 1/20 0.34
ABCG2 Q9UNQ0 4/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL16726719 0.96 KDM4E (0.40) KDM4EATML3MBTL1MAPTSMN1; SMN2
SCHEMBL26007551 0.95 PDPK1 (0.37) KDM4EATML3MBTL1MAPTSMN1; SMN2
SCHEMBL26007468 0.95 KDM4E (0.36) KDM4EATML3MBTL1MAPTSMN1; SMN2
SCHEMBL21207754 0.94 KDM4E (0.36) KDM4EATML3MBTL1MAPTSMN1; SMN2
SCHEMBL26012337 0.94 KDM4E (0.36) KDM4EATML3MBTL1MAPTSMN1; SMN2
SCHEMBL24152024 0.94 KDM4E (0.38) KDM4EATML3MBTL1MAPTSMN1; SMN2
SCHEMBL26007556 0.93 KDM4E (0.34) KDM4EATML3MBTL1MAPTSMN1; SMN2
SCHEMBL24152108 0.93 KDM4E (0.34) KDM4EATML3MBTL1MAPTSMN1; SMN2
SCHEMBL17864182 0.93 KDM4E (0.36) KDM4EATML3MBTL1MAPTSMN1; SMN2
SCHEMBL17864149 0.93 MEN1 (0.40) 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