SCHEMBL9913017

SCHEMBL9913017

c1ccc(N(c2ccccc2)c2ccc3c4ccc(N(c5ccccc5)c5ccccc5)cc4n(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)c3c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

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
APP P05067 1/20 0.32
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
PRSS1 P07477 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 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
MEN1 O00255 1/20 0.30
PER2 O15055 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
SCHEMBL9913023 1.00 L3MBTL1 (0.38) L3MBTL1KDM4EATMSIGMAR1APP
SCHEMBL9912996 0.99 L3MBTL1 (0.39) L3MBTL1KDM4EATMSIGMAR1APP
SCHEMBL10132177 0.96 L3MBTL1 (0.42) L3MBTL1KDM4EATMSIGMAR1ALDH1A1
SCHEMBL9913025 0.95 F2 (0.36) L3MBTL1KDM4EATMSIGMAR1F2
SCHEMBL9913024 0.95 F2 (0.36) L3MBTL1KDM4EATMSIGMAR1F2
SCHEMBL9913020 0.93 SIGMAR1 (0.36) L3MBTL1KDM4EATMSIGMAR1APP
SCHEMBL19152186 0.90 L3MBTL1 (0.42) L3MBTL1KDM4EATMSIGMAR1F2
SCHEMBL11922057 0.90 L3MBTL1 (0.41) L3MBTL1KDM4EATMSIGMAR1F2
SCHEMBL17740753 0.90 L3MBTL1 (0.37) L3MBTL1KDM4EATMSIGMAR1ALDH1A1
SCHEMBL9913008 0.90 SIGMAR1 (0.37) L3MBTL1KDM4EATMSIGMAR1ALDH1A1

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