SCHEMBL9912914

SCHEMBL9912914

COc1cccc(N(c2ccc(-n3c4ccc(N(c5cccc(OC)c5)c5cccc6ccccc56)cc4c4cc(N(c5cccc(OC)c5)c5cccc6ccccc56)ccc43)cc2)c2ccc3ccccc3c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.34
HTT P42858 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2A6 P11509 1/20 0.34
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CNR2 P34972 2/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PER2 O15055 1/20 0.32
CRY1 Q16526 1/20 0.32
CRY2 Q49AN0 1/20 0.32

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
SCHEMBL9912977 0.96 KDM4E (0.38) MTNR1AMTNR1BKDM4EMAPTHTT
SCHEMBL9912976 0.96 KDM4E (0.38) MTNR1AMTNR1BKDM4EMAPTHTT
SCHEMBL9912897 0.92 MTNR1A (0.43) MTNR1AMTNR1BKDM4EMAPTHTT
SCHEMBL9912985 0.91 MTNR1A (0.42) MTNR1AMTNR1BKDM4EMAPTHTT
SCHEMBL9912980 0.90 KDM4E (0.34) KDM4EL3MBTL1PMM2MPI
SCHEMBL9912973 0.90 KDM4E (0.34) KDM4EL3MBTL1PMM2MPI
SCHEMBL9912928 0.89 SMN1; SMN2 (0.40) MTNR1AMTNR1BKDM4EMAPTHTT
SCHEMBL9912905 0.89 MAPT (0.41) KDM4EMAPTHTTCYP1A2KMT2A
SCHEMBL9912952 0.88 KMT2A (0.36) MTNR1AMTNR1BKDM4EMAPTHTT
SCHEMBL9913015 0.87 NTRK1 (0.36) MTNR1AMTNR1BKDM4EMAPTHTT

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