SCHEMBL9912947

SCHEMBL9912947

COc1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccc(OC)cc3)cc(-n3c4ccc(N(c5ccccc5)c5ccc(OC)cc5)cc4c4cc(N(c5ccccc5)c5ccc(OC)cc5)ccc43)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
MAPT P10636 7/20 0.41
HTT P42858 4/20 0.41
HPGD P15428 5/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
EDNRA P25101 1/20 0.36
TP53 P04637 3/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PKM P14618 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
FGFR1 P11362 1/20 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
SCHEMBL9912959 0.94 HTT (0.39) KDM4EMAPTHTTHPGDMEN1
SCHEMBL9912946 0.92 KDM4E (0.41) KDM4EMAPTHTTHPGDMEN1
SCHEMBL9912963 0.92 KDM4E (0.38) KDM4EMAPTHTTHPGDMEN1
SCHEMBL24688571 0.92 KDM4E (0.48) KDM4EMAPTHTTHPGDMEN1
SCHEMBL9912916 0.92 KDM4E (0.45) KDM4EMAPTHTTHPGDMEN1
SCHEMBL4843245 0.92 KDM4E (0.47) KDM4EMAPTHTTHPGDMEN1
SCHEMBL9912909 0.92 KDM4E (0.47) KDM4EMAPTHTTHPGDMEN1
SCHEMBL9912955 0.91 CYP1A2 (0.41) KDM4EMAPTHTTHPGDMEN1
SCHEMBL9912938 0.89 KDM4E (0.41) KDM4EMAPTHTTHPGDMEN1
SCHEMBL9912941 0.89 L3MBTL1 (0.38) KDM4EMAPTHTTHPGDMEN1

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