SCHEMBL9912952

SCHEMBL9912952

COc1cccc(N(c2cc(N(c3cccc(OC)c3)c3cccc4ccccc34)cc(-n3c4ccc(N(c5cccc(OC)c5)c5cccc6ccccc56)cc4c4cc(N(c5cccc(OC)c5)c5cccc6ccccc56)ccc43)c2)c2cccc3ccccc23)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
PMM2 O15305 1/20 0.34
MPI P34949 1/20 0.34
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34
PER2 O15055 1/20 0.34
CRY1 Q16526 1/20 0.34
CRY2 Q49AN0 1/20 0.34
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33

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
SCHEMBL9912928 0.94 SMN1; SMN2 (0.40) KMT2AKDM4EMAPTHTTMEN1
SCHEMBL9912954 0.92 TUBB4A (0.38) KMT2AKDM4EMAPTHTTMEN1
SCHEMBL9912977 0.90 KDM4E (0.38) KMT2AKDM4EMAPTHTTMEN1
SCHEMBL9912976 0.90 KDM4E (0.38) KMT2AKDM4EMAPTHTTMEN1
SCHEMBL9912914 0.88 MTNR1A (0.39) KMT2AKDM4EMAPTHTTMEN1
SCHEMBL9912927 0.88 TUBB4A (0.38) KMT2AKDM4EMAPTHTTMEN1
SCHEMBL9912953 0.87 MTNR1A (0.42) KMT2AKDM4EMAPTHTTMEN1
SCHEMBL9912942 0.87 SIGMAR1 (0.35) KDM4EL3MBTL1
SCHEMBL9912946 0.86 KDM4E (0.41) KMT2AKDM4EMAPTHTTMEN1
SCHEMBL9912948 0.85 SIGMAR1 (0.36) KDM4EMAPTALDH1A1HPGDHSD17B10

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