SCHEMBL16482113

SCHEMBL16482113

c1ccc(-c2ccc(-n3c4cc(-n5c6ccccc6c6ccccc65)ccc4c4c5sc6ccc(-c7ccccc7)cc6c5ccc43)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LIMK1 P53667 2/20 0.36
HDAC4 P56524 1/20 0.34
TSPO P30536 1/20 0.32
PIM3 Q86V86 2/20 0.31
PIM1 P11309 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
EDNRB P24530 1/20 0.30
EDNRA P25101 1/20 0.30

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
SCHEMBL16482092 0.99 L3MBTL1 (0.40) KDM4EATML3MBTL1LIMK1HDAC4
SCHEMBL24676585 0.96 L3MBTL1 (0.41) KDM4EATML3MBTL1LIMK1HDAC4
SCHEMBL16482174 0.96 KDM4E (0.36) KDM4EATML3MBTL1LIMK1HDAC4
SCHEMBL16482093 0.94 KDM4E (0.39) KDM4EATML3MBTL1LIMK1HDAC4
SCHEMBL16482259 0.93 L3MBTL1 (0.39) KDM4EATML3MBTL1LIMK1HDAC4
SCHEMBL16482091 0.93 L3MBTL1 (0.41) KDM4EATML3MBTL1LIMK1HDAC4
SCHEMBL16482210 0.93 KDM4E (0.40) KDM4EATML3MBTL1LIMK1HDAC4
SCHEMBL14951774 0.93 L3MBTL1 (0.41) KDM4EATML3MBTL1LIMK1HDAC4
SCHEMBL16482496 0.92 KDM4E (0.37) KDM4EATML3MBTL1LIMK1HDAC4
SCHEMBL16283056 0.92 L3MBTL1 (0.40) KDM4EATML3MBTL1LIMK1HDAC4

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-2014057659-A1 COMPOUND, AND ORGANIC ELECTROLUMINESCENT ELEMENT PRODUCED USING SAME 出光興産株式会社 (JP) 2014-04-17 WO disclosed