SCHEMBL9912942

SCHEMBL9912942

c1ccc(N(c2cc(N(c3ccccc3)c3cccc4ccccc34)cc(-n3c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4c4cc(N(c5ccccc5)c5cccc6ccccc56)ccc43)c2)c2cccc3ccccc23)cc1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.35
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DHFR P00374 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
SCHEMBL9912919 0.93 L3MBTL1 (0.38) SIGMAR1KDM4EATML3MBTL1DHFR
SCHEMBL9912864 0.92 L3MBTL1 (0.39) SIGMAR1KDM4EATML3MBTL1DHFR
SCHEMBL13557391 0.92 L3MBTL1 (0.42) SIGMAR1KDM4EATML3MBTL1DHFR
SCHEMBL9912950 0.91 DHFR (0.33) SIGMAR1DHFR
SCHEMBL9912972 0.91 L3MBTL1 (0.38) SIGMAR1KDM4EATML3MBTL1DHFR
SCHEMBL12559428 0.91 L3MBTL1 (0.41) SIGMAR1KDM4EATML3MBTL1DHFR
SCHEMBL9912965 0.91 L3MBTL1 (0.38) SIGMAR1KDM4EATML3MBTL1DHFR
SCHEMBL1981141 0.91 L3MBTL1 (0.41) SIGMAR1KDM4EATML3MBTL1DHFR
SCHEMBL29373277 0.91 L3MBTL1 (0.41) SIGMAR1KDM4EATML3MBTL1DHFR
SCHEMBL9913014 0.91 L3MBTL1 (0.38) SIGMAR1KDM4EATML3MBTL1DHFR

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