SCHEMBL9912965

SCHEMBL9912965

c1ccc(N(c2ccccc2)c2ccc(-n3c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4c4cc(N(c5ccccc5)c5cccc6ccccc56)ccc43)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ATM Q13315 1/20 0.38
SIGMAR1 Q99720 6/20 0.36
DHFR P00374 1/20 0.33
APP P05067 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 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
SCHEMBL9913014 1.00 L3MBTL1 (0.38) L3MBTL1KDM4EATMSIGMAR1DHFR
SCHEMBL9912972 1.00 L3MBTL1 (0.38) L3MBTL1KDM4EATMSIGMAR1DHFR
SCHEMBL9912864 0.99 L3MBTL1 (0.39) L3MBTL1KDM4EATMSIGMAR1DHFR
SCHEMBL1981141 0.97 L3MBTL1 (0.41) L3MBTL1KDM4EATMSIGMAR1DHFR
SCHEMBL12559428 0.97 L3MBTL1 (0.41) L3MBTL1KDM4EATMSIGMAR1DHFR
SCHEMBL29373277 0.97 L3MBTL1 (0.41) L3MBTL1KDM4EATMSIGMAR1DHFR
SCHEMBL13557391 0.96 L3MBTL1 (0.42) L3MBTL1KDM4EATMSIGMAR1DHFR
SCHEMBL9912973 0.95 KDM4E (0.34) L3MBTL1KDM4EATMSIGMAR1DHFR
SCHEMBL9912980 0.95 KDM4E (0.34) L3MBTL1KDM4EATMSIGMAR1DHFR
SCHEMBL1980540 0.95 KDM4E (0.46) L3MBTL1KDM4EATMSIGMAR1DHFR

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