SCHEMBL9913045

SCHEMBL9913045

c1ccc2c(N(c3ccc(-c4ccc5c(c4)c4cc(-c6ccc(N(c7cccc8ccccc78)c7cccc8ccccc78)cc6)ccc4n5-c4ccc(N(c5cccc6ccccc56)c5cccc6ccccc56)cc4)cc3)c3cccc4ccccc34)cccc2c1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSPO P30536 2/20 0.33
SIGMAR1 Q99720 5/20 0.33
DHFR P00374 1/20 0.31
HDAC4 P56524 1/20 0.31
PTGER4 P35408 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
SCHEMBL9913061 1.00 KDM4E (0.34) KDM4EATML3MBTL1TSPOSIGMAR1
SCHEMBL19152323 0.95 KDM4E (0.41) KDM4EATML3MBTL1TSPOSIGMAR1
SCHEMBL12369637 0.95 TSPO (0.37) KDM4EATML3MBTL1TSPOSIGMAR1
SCHEMBL9913054 0.95 KDM4E (0.36) KDM4EATML3MBTL1TSPOSIGMAR1
SCHEMBL9913040 0.95 KDM4E (0.36) KDM4EATML3MBTL1TSPOSIGMAR1
SCHEMBL15306375 0.94 L3MBTL1 (0.45) KDM4EATML3MBTL1TSPOSIGMAR1
SCHEMBL20707444 0.94 TSPO (0.36) KDM4EATML3MBTL1TSPOSIGMAR1
SCHEMBL10029867 0.94 TSPO (0.36) KDM4EATML3MBTL1TSPOSIGMAR1
SCHEMBL15306405 0.94 L3MBTL1 (0.45) KDM4EATML3MBTL1TSPOSIGMAR1
SCHEMBL4400207 0.92 TSPO (0.36) KDM4EATML3MBTL1TSPOSIGMAR1

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