SCHEMBL21753766

SCHEMBL21753766

[Zn]Oc1ccccc1-c1nc2ccccc2s1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.58
RAB9A P51151 8/20 0.58
ALDH1A1 P00352 6/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
KDM4E B2RXH2 9/20 0.58
MAPT P10636 5/20 0.58
GAA P10253 4/20 0.58
TDP1 Q9NUW8 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
GLA P06280 2/20 0.55
HCRTR1 O43613 1/20 0.55
NPSR1 Q6W5P4 1/20 0.50
POLB P06746 2/20 0.49
ILK Q13418 3/20 0.48
HSD17B10 Q99714 2/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
APP P05067 1/20 0.47

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
SCHEMBL25068629 0.86 KDM4E (0.62) NPC1RAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL21752785 0.83 ALDH1A1 (0.58) NPC1RAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL2088159 0.83 ALDH1A1 (0.76) NPC1RAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL30161844 0.83 ALDH1A1 (0.76) NPC1RAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL23465937 0.83 NPC1 (0.58) NPC1RAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL2088155 0.83 NPC1 (0.58) NPC1RAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL21131752 0.83 KDM4E (0.63) NPC1RAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL20959856 0.83 NPC1 (0.58) NPC1RAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL18411349 0.83 NPC1 (0.58) NPC1RAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL18525488 0.83 NPC1 (0.58) NPC1RAB9AALDH1A1SMN1; SMN2MEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020039708-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT 国立大学法人九州大学 2020-02-27 WO disclosed