SCHEMBL9912928

SCHEMBL9912928

COc1cccc(N(c2cccc(-n3c4ccc(N(c5cccc(OC)c5)c5cccc6ccccc56)cc4c4cc(N(c5cccc(OC)c5)c5cccc6ccccc56)ccc43)c2)c2cccc3ccccc23)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 2/20 0.37
PMM2 O15305 1/20 0.37
MPI P34949 1/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
THRB P10828 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
PER2 O15055 1/20 0.34
CRY1 Q16526 1/20 0.34
CRY2 Q49AN0 1/20 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
SCHEMBL9912952 0.94 KMT2A (0.36) SMN1; SMN2KDM4EPMM2MPIMAPT
SCHEMBL9912927 0.93 TUBB4A (0.38) SMN1; SMN2KDM4EMAPTHTTMEN1
SCHEMBL9912977 0.91 KDM4E (0.38) SMN1; SMN2KDM4EPMM2MPIMAPT
SCHEMBL9912976 0.91 KDM4E (0.38) SMN1; SMN2KDM4EPMM2MPIMAPT
SCHEMBL9912914 0.89 MTNR1A (0.39) SMN1; SMN2KDM4EPMM2MPIMAPT
SCHEMBL9912925 0.87 MTNR1A (0.43) SMN1; SMN2KDM4EMAPTHTTMEN1
SCHEMBL9912919 0.87 L3MBTL1 (0.38) KDM4EPMM2MPIL3MBTL1
SCHEMBL9912954 0.86 TUBB4A (0.38) KDM4EMAPTHTTMEN1ALDH1A1
SCHEMBL9912905 0.86 MAPT (0.41) SMN1; SMN2KDM4EMAPTHTTMEN1
SCHEMBL9912924 0.86 KDM4E (0.44) SMN1; SMN2KDM4EMAPTHTTMEN1

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