SCHEMBL9912937

SCHEMBL9912937

COc1ccc(N(c2ccc(OC)cc2)c2ccc(-n3c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4c4cc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)ccc43)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
HTT P42858 5/20 0.46
HPGD P15428 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPK1 P28482 2/20 0.46
PKM P14618 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
HIF1A Q16665 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
POLB P06746 1/20 0.45
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
KDM4E B2RXH2 3/20 0.42
LMNA P02545 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TP53 P04637 2/20 0.40
CLK1 P49759 1/20 0.39
GSK3B P49841 1/20 0.39

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
SCHEMBL17485891 1.00 MAPT (0.46) MAPTHTTHPGDSMN1; SMN2HSD17B10
SCHEMBL17414859 1.00 MAPT (0.46) MAPTHTTHPGDSMN1; SMN2HSD17B10
SCHEMBL17414864 0.95 MAPT (0.43) MAPTHTTHPGDSMN1; SMN2HSD17B10
SCHEMBL4843245 0.94 KDM4E (0.47) MAPTHTTHPGDSMN1; SMN2HSD17B10
SCHEMBL9912909 0.94 KDM4E (0.47) MAPTHTTHPGDSMN1; SMN2HSD17B10
SCHEMBL17485912 0.93 HTT (0.41) MAPTHTTHPGDSMN1; SMN2HSD17B10
SCHEMBL17425347 0.93 MAPT (0.53) MAPTHTTHPGDSMN1; SMN2HSD17B10
SCHEMBL19879305 0.91 HTT (0.45) MAPTHTTHPGDSMN1; SMN2HSD17B10
SCHEMBL9912959 0.91 HTT (0.39) MAPTHTTHPGDSMN1; SMN2HSD17B10
SCHEMBL9912907 0.90 CYP1A2 (0.42) MAPTHTTHPGDSMN1; SMN2HSD17B10

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