SCHEMBL9912977

SCHEMBL9912977

COc1cccc(N(c2cccc(OC)c2)c2ccc3c(c2)c2cc(N(c4cccc(OC)c4)c4cccc(OC)c4)ccc2n3-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MTNR1A P48039 3/20 0.34
MTNR1B P49286 3/20 0.34
NTRK1 P04629 1/20 0.34
IGF1R P08069 1/20 0.34
FGFR1 P11362 1/20 0.34
NTRK2 Q16620 1/20 0.34
TP53 P04637 1/20 0.34
PPARG P37231 2/20 0.33
PER2 O15055 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
SCHEMBL9912976 1.00 KDM4E (0.38) KDM4EMAPTHTTSMN1; SMN2MEN1
SCHEMBL9912914 0.96 MTNR1A (0.39) KDM4EMAPTHTTSMN1; SMN2MEN1
SCHEMBL9913015 0.91 NTRK1 (0.36) KDM4EMAPTHTTSMN1; SMN2USP2
SCHEMBL9912928 0.91 SMN1; SMN2 (0.40) KDM4EMAPTHTTSMN1; SMN2MEN1
SCHEMBL9912905 0.91 MAPT (0.41) KDM4EMAPTHTTSMN1; SMN2MEN1
SCHEMBL9912952 0.90 KMT2A (0.36) KDM4EMAPTHTTSMN1; SMN2MEN1
SCHEMBL9912970 0.90 KDM4E (0.45) KDM4EMAPTHTTSMN1; SMN2MEN1
SCHEMBL9912969 0.90 KDM4E (0.45) KDM4EMAPTHTTSMN1; SMN2MEN1
SCHEMBL9912972 0.90 L3MBTL1 (0.38) KDM4EMAPTALDH1A1L3MBTL1
SCHEMBL9913014 0.90 L3MBTL1 (0.38) KDM4EMAPTALDH1A1L3MBTL1

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