SCHEMBL9912980

SCHEMBL9912980

c1ccc(N(c2ccc(-n3c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4c4cc(N(c5ccccc5)c5cccc6ccccc56)ccc43)cc2)c2ccc3ccccc3c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SIGMAR1 Q99720 5/20 0.33
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
PRSS1 P07477 1/20 0.32
DHFR P00374 1/20 0.31
PMM2 O15305 1/20 0.31
MPI P34949 1/20 0.31
PHOSPHO1 Q8TCT1 1/20 0.31

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
SCHEMBL9912973 1.00 KDM4E (0.34) KDM4EATML3MBTL1SIGMAR1F2
SCHEMBL9913014 0.95 L3MBTL1 (0.38) KDM4EATML3MBTL1SIGMAR1DHFR
SCHEMBL9912972 0.95 L3MBTL1 (0.38) KDM4EATML3MBTL1SIGMAR1DHFR
SCHEMBL9912965 0.95 L3MBTL1 (0.38) KDM4EATML3MBTL1SIGMAR1DHFR
SCHEMBL9912864 0.94 L3MBTL1 (0.39) KDM4EATML3MBTL1SIGMAR1DHFR
SCHEMBL1981141 0.92 L3MBTL1 (0.41) KDM4EATML3MBTL1SIGMAR1DHFR
SCHEMBL29373277 0.92 L3MBTL1 (0.41) KDM4EATML3MBTL1SIGMAR1DHFR
SCHEMBL12559428 0.92 L3MBTL1 (0.41) KDM4EATML3MBTL1SIGMAR1DHFR
SCHEMBL13557391 0.91 L3MBTL1 (0.42) KDM4EATML3MBTL1SIGMAR1DHFR
SCHEMBL9913025 0.90 F2 (0.36) KDM4EATML3MBTL1SIGMAR1F2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198801-B2 Materials for injecting or transporting holes and organic electroluminescence devices using the same LG CHEM, LTD. (KR) 2012-06-12 US disclosed
US-8198801-B2 Materials for injecting or transporting holes and organic electroluminescence devices using the same LG CHEM, LTD. (KR) 2012-06-12 US disclosed