SCHEMBL9913019

SCHEMBL9913019

COc1cccc(N(c2ccccc2)c2ccc3c4ccc(N(c5ccccc5)c5cccc(OC)c5)cc4n(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c3c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.42
IGF1R P08069 1/20 0.42
FGFR1 P11362 1/20 0.42
NTRK2 Q16620 1/20 0.42
KDM4E B2RXH2 2/20 0.40
MAPT P10636 4/20 0.39
HTT P42858 2/20 0.39
MTNR1A P48039 4/20 0.39
MTNR1B P49286 4/20 0.39
PER2 O15055 1/20 0.38
CRY1 Q16526 1/20 0.38
CRY2 Q49AN0 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
USP2 O75604 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL9913021 0.94 MTNR1A (0.42) NTRK1IGF1RFGFR1NTRK2KDM4E
SCHEMBL9913010 0.92 MTNR1A (0.43) NTRK1IGF1RFGFR1NTRK2KDM4E
SCHEMBL9913247 0.92 MAPT (0.46) NTRK1IGF1RFGFR1NTRK2KDM4E
SCHEMBL21452044 0.90 KDM4E (0.38) NTRK1IGF1RFGFR1NTRK2KDM4E
SCHEMBL9913015 0.90 NTRK1 (0.36) NTRK1IGF1RFGFR1NTRK2KDM4E
SCHEMBL9912908 0.89 KDM4E (0.45) NTRK1IGF1RFGFR1NTRK2KDM4E
SCHEMBL9912970 0.89 KDM4E (0.45) NTRK1IGF1RFGFR1NTRK2KDM4E
SCHEMBL9912969 0.89 KDM4E (0.45) NTRK1IGF1RFGFR1NTRK2KDM4E
SCHEMBL7024792 0.88 TSPO (0.41) NTRK1IGF1RFGFR1NTRK2KDM4E
SCHEMBL9912999 0.87 ALDH1A1 (0.44) KDM4EMAPTHTTSMN1; SMN2ALDH1A1

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