SCHEMBL9912987

SCHEMBL9912987

c1ccc(Nc2ccc(-n3c4cc(Nc5ccccc5)ccc4c4ccc(Nc5ccccc5)cc43)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
MAPT P10636 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
AR P10275 1/20 0.48
L3MBTL1 Q9Y468 5/20 0.48
HSD17B10 Q99714 4/20 0.48
TDP1 Q9NUW8 4/20 0.48
TSHR P16473 3/20 0.48
ALOX12 P18054 3/20 0.48
ALOX15 P16050 2/20 0.48
PTGS1 P23219 1/20 0.48
SLC6A2 P23975 1/20 0.48
MAPK1 P28482 1/20 0.48
PTGS2 P35354 1/20 0.48
HTR2B P41595 1/20 0.48
CYP3A4 P08684 4/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 3/20 0.45
ATM Q13315 2/20 0.45

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
SCHEMBL6135449 0.96 L3MBTL1 (0.50) ALDH1A1MAPTMEN1KMT2AAR
SCHEMBL16891270 0.91 L3MBTL1 (0.60) ALDH1A1MAPTMEN1KMT2AAR
SCHEMBL30170400 0.91 L3MBTL1 (0.60) ALDH1A1MAPTMEN1KMT2AAR
SCHEMBL17056805 0.89 L3MBTL1 (0.49) ALDH1A1MAPTMEN1KMT2AAR
SCHEMBL20904484 0.88 KDM4E (0.47) ALDH1A1MAPTMEN1KMT2AAR
SCHEMBL17056814 0.87 L3MBTL1 (0.64) ALDH1A1MAPTMEN1KMT2AAR
SCHEMBL23561423 0.87 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2AAR
SCHEMBL26541682 0.87 L3MBTL1 (0.50) ALDH1A1MAPTMEN1KMT2AAR
SCHEMBL9912988 0.86 ALDH1A1 (0.58) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL9912851 0.85 ALDH1A1 (0.48) ALDH1A1MAPTMEN1KMT2AAR

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