SCHEMBL9912924

SCHEMBL9912924

COc1cccc(N(c2ccccc2)c2cccc(-n3c4ccc(N(c5ccccc5)c5cccc(OC)c5)cc4c4cc(N(c5ccccc5)c5cccc(OC)c5)ccc43)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
USP2 O75604 1/20 0.40
FGFR1 P11362 3/20 0.39
NTRK1 P04629 1/20 0.39
IGF1R P08069 1/20 0.39
NTRK2 Q16620 1/20 0.39
THRB P10828 1/20 0.39
NOTUM Q6P988 1/20 0.39
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 2/20 0.38
HTR7 P34969 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38

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
SCHEMBL9912936 0.95 KDM4E (0.41) KDM4EMAPTHTTSMN1; SMN2USP2
SCHEMBL12856848 0.95 KDM4E (0.49) KDM4EMAPTHTTSMN1; SMN2FGFR1
SCHEMBL9912946 0.94 KDM4E (0.41) KDM4EMAPTHTTSMN1; SMN2USP2
SCHEMBL9912970 0.93 KDM4E (0.45) KDM4EMAPTHTTSMN1; SMN2USP2
SCHEMBL9912908 0.93 KDM4E (0.45) KDM4EMAPTHTTSMN1; SMN2USP2
SCHEMBL9912916 0.93 KDM4E (0.45) KDM4EMAPTHTTSMN1; SMN2USP2
SCHEMBL9912969 0.93 KDM4E (0.45) KDM4EMAPTHTTSMN1; SMN2USP2
SCHEMBL9912925 0.91 MTNR1A (0.43) KDM4EMAPTHTTSMN1; SMN2USP2
SCHEMBL9912938 0.91 KDM4E (0.41) KDM4EMAPTHTTSMN1; SMN2FGFR1
SCHEMBL9912935 0.91 KDM4E (0.41) KDM4EMAPTHTTSMN1; SMN2FGFR1

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