SCHEMBL9912971

SCHEMBL9912971

Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)c2cc(N(c4ccc(C)cc4)c4ccc(C)cc4)ccc2n3-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.41
POLB P06746 1/20 0.40
KDM4E B2RXH2 8/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
ATM Q13315 1/20 0.39
MAPT P10636 6/20 0.38
GAA P10253 2/20 0.38
GFER P55789 1/20 0.38
HPGD P15428 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
HTT P42858 3/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP2C9 P11712 3/20 0.35
CYP2C19 P33261 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
HSD17B10 Q99714 2/20 0.35

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
SCHEMBL12249799 1.00 APP (0.41) APPPOLBKDM4EL3MBTL1ATM
SCHEMBL9912891 1.00 APP (0.41) APPPOLBKDM4EL3MBTL1ATM
SCHEMBL15480788 0.96 KDM4E (0.47) APPPOLBKDM4EL3MBTL1ATM
SCHEMBL15747065 0.96 KDM4E (0.47) APPPOLBKDM4EL3MBTL1ATM
SCHEMBL15468954 0.95 KDM4E (0.44) APPPOLBKDM4EL3MBTL1ATM
SCHEMBL9912873 0.94 POLB (0.43) APPPOLBKDM4EL3MBTL1ATM
SCHEMBL17807588 0.94 POLB (0.43) APPPOLBKDM4EL3MBTL1ATM
SCHEMBL3333309 0.93 KDM4E (0.51) APPPOLBKDM4EL3MBTL1ATM
SCHEMBL15747059 0.93 KDM4E (0.51) APPPOLBKDM4EL3MBTL1ATM
SCHEMBL16269867 0.92 KDM4E (0.42) APPKDM4EL3MBTL1ATMMAPT

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