SCHEMBL17209136

SCHEMBL17209136

c1ccc(-c2ccc(-c3ccc4c(c3)Cc3cc(-n5c6ccc(-c7ccc(-c8ccccc8)cc7)cc6c6cc(-c7ccc(-c8ccccc8)cc7)ccc65)ccc3-4)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 6/20 0.43
PARP10 Q53GL7 1/20 0.36
PARP11 Q9NR21 1/20 0.36
MMP12 P39900 1/20 0.36
MMP13 P45452 1/20 0.36
TYRO3 Q06418 1/20 0.35
NTRK2 Q16620 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.34
CNR1 P21554 1/20 0.33
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
NR3C1 P04150 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALK Q9UM73 1/20 0.33
HRH3 Q9Y5N1 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
SCHEMBL17209212 1.00 TDP2 (0.43) TDP2PARP10PARP11MMP12MMP13
SCHEMBL17209162 1.00 TDP2 (0.43) TDP2PARP10PARP11MMP12MMP13
SCHEMBL17209244 1.00 TDP2 (0.43) TDP2PARP10PARP11MMP12MMP13
SCHEMBL17209216 1.00 TDP2 (0.43) TDP2PARP10PARP11MMP12MMP13
SCHEMBL17209161 1.00 TDP2 (0.43) TDP2PARP10PARP11MMP12MMP13
SCHEMBL17209298 0.94 NPC1 (0.41) TDP2MMP12MMP13CTDSP1CNR1
SCHEMBL17209131 0.94 NPC1 (0.41) TDP2MMP12MMP13CTDSP1CNR1
SCHEMBL17209297 0.94 NPC1 (0.41) TDP2MMP12MMP13CTDSP1CNR1
SCHEMBL15613804 0.90 PARP10 (0.40) TDP2PARP10PARP11EDNRBEDNRA
SCHEMBL23468815 0.90 KDM4E (0.41) TDP2MMP12MMP13CTDSP1CNR1

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-2015163584-A1 NOVEL COMPOUND AND LIGHT EMITTING ELEMENT COMPRISING SAME 주식회사 엘엠에스 2015-10-29 WO disclosed