SCHEMBL9912908

SCHEMBL9912908

COc1cccc(N(c2ccccc2)c2ccc(-n3c4ccc(N(c5ccccc5)c5cccc(OC)c5)cc4c4cc(N(c5ccccc5)c5cccc(OC)c5)ccc43)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
MAPT P10636 3/20 0.44
HTT P42858 2/20 0.44
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
NTRK1 P04629 1/20 0.40
IGF1R P08069 1/20 0.40
FGFR1 P11362 1/20 0.40
NTRK2 Q16620 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MTNR1A P48039 4/20 0.39
MTNR1B P49286 4/20 0.39
TP53 P04637 1/20 0.39
PPARG P37231 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
USP2 O75604 1/20 0.36

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
SCHEMBL9912969 1.00 KDM4E (0.45) KDM4EMAPTHTTMEN1KMT2A
SCHEMBL9912970 1.00 KDM4E (0.45) KDM4EMAPTHTTMEN1KMT2A
SCHEMBL9912935 0.97 KDM4E (0.41) KDM4EMAPTHTTMEN1KMT2A
SCHEMBL12856848 0.96 KDM4E (0.49) KDM4EMAPTHTTMEN1KMT2A
SCHEMBL9912985 0.94 MTNR1A (0.42) KDM4EMAPTHTTMEN1KMT2A
SCHEMBL9912924 0.93 KDM4E (0.44) KDM4EMAPTHTTMEN1KMT2A
SCHEMBL9912897 0.92 MTNR1A (0.43) KDM4EMAPTHTTMEN1KMT2A
SCHEMBL9912946 0.92 KDM4E (0.41) KDM4EMAPTHTTMEN1KMT2A
SCHEMBL4843245 0.92 KDM4E (0.47) KDM4EMAPTHTTMEN1KMT2A
SCHEMBL9912909 0.92 KDM4E (0.47) 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