SCHEMBL6329882

SCHEMBL6329882

c1ccc2oc(CCc3ccc(-c4nc5ccccc5o4)cc3)nc2c1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.68
RAB9A P51151 3/20 0.68
TP53 P04637 3/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
MAPT P10636 2/20 0.68
HTT P42858 1/20 0.68
GFER P55789 1/20 0.68
KDM4E B2RXH2 1/20 0.66
ALDH1A1 P00352 1/20 0.66
HPGD P15428 1/20 0.66
HSD17B10 Q99714 1/20 0.66
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
ATM Q13315 1/20 0.58
LMNA P02545 1/20 0.57
LOXL2 Q9Y4K0 1/20 0.55
BCHE P06276 1/20 0.53

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
SCHEMBL5182011 0.92 NPC1 (0.76) NPC1RAB9ATP53SMN1; SMN2MAPT
2-Phenethylbenzo[D]Oxazole SCHEMBL10582102 0.84 MAPT (0.81) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL11368928 0.83 NPC1 (0.68) NPC1RAB9ATP53SMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL8983501 0.83 NPC1 (0.77) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL28868163 0.83 NPC1 (0.68) NPC1RAB9ATP53SMN1; SMN2KDM4E
SCHEMBL155002 0.82 MAPT (1.00) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL31170 0.82 NPC1 (0.81) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL8983405 0.81 NPC1 (0.64) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL28266940 0.81 NPC1 (0.64) NPC1RAB9ATP53SMN1; SMN2KDM4E
Methane SCHEMBL29265168 0.80 NPC1 (0.79) NPC1RAB9ATP53SMN1; SMN2MAPT

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
US-20050101703-A1 Method for the production of optically brightened polyester MARTINI THOMAS (DE) 2005-05-12 US disclosed