SCHEMBL9912946

SCHEMBL9912946

COc1cccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3cccc(OC)c3)cc(-n3c4ccc(N(c5ccccc5)c5cccc(OC)c5)cc4c4cc(N(c5ccccc5)c5cccc(OC)c5)ccc43)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MTNR1A P48039 5/20 0.37
MTNR1B P49286 5/20 0.37
ALOX15 P16050 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
USP2 O75604 1/20 0.35
PER2 O15055 1/20 0.35
CRY1 Q16526 1/20 0.35
CRY2 Q49AN0 1/20 0.35
EDNRA P25101 1/20 0.34
FGFR1 P11362 2/20 0.34

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
SCHEMBL9912963 0.95 KDM4E (0.38) KDM4EMAPTHTTMEN1KMT2A
SCHEMBL9912924 0.94 KDM4E (0.44) KDM4EMAPTHTTMEN1KMT2A
SCHEMBL24688571 0.92 KDM4E (0.48) KDM4EMAPTHTTMEN1KMT2A
SCHEMBL9912947 0.92 KDM4E (0.42) KDM4EMAPTHTTMEN1KMT2A
SCHEMBL9912969 0.92 KDM4E (0.45) KDM4EMAPTHTTMEN1KMT2A
SCHEMBL9912970 0.92 KDM4E (0.45) KDM4EMAPTHTTMEN1KMT2A
SCHEMBL9912908 0.92 KDM4E (0.45) KDM4EMAPTHTTMEN1KMT2A
SCHEMBL9912953 0.91 MTNR1A (0.42) KDM4EMAPTHTTMEN1KMT2A
SCHEMBL12856848 0.91 KDM4E (0.49) KDM4EMAPTHTTMEN1KMT2A
SCHEMBL9912935 0.89 KDM4E (0.41) KDM4EMAPTHTTMEN1KMT2A

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