SCHEMBL9408798

SCHEMBL9408798

NCc1cc(Br)cc(-n2nc3ccccc3n2)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
LMNA P02545 2/20 0.42
POLB P06746 2/20 0.41
MEN1 O00255 6/20 0.35
KMT2A Q03164 6/20 0.35
KDM4E B2RXH2 6/20 0.35
HPGD P15428 4/20 0.34
ALDH1A1 P00352 5/20 0.33
MAPT P10636 5/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
ALOX15 P16050 2/20 0.33
CASP1 P29466 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
APAF1 O14727 1/20 0.33
TP53 P04637 1/20 0.33
CASP7 P55210 1/20 0.33

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
SCHEMBL508460 0.84 NPC1 (0.62) NPC1RAB9ALMNAPOLBMEN1
SCHEMBL9408769 0.84 NPC1 (0.51) NPC1RAB9ALMNAPOLBMEN1
Hydrochloric Acid SCHEMBL8372133 0.82 NPC1 (0.61) NPC1RAB9ALMNAPOLBMEN1
SCHEMBL9408808 0.82 NPC1 (0.43) NPC1RAB9ALMNAPOLBMEN1
SCHEMBL9408768 0.80 NPC1 (0.45) NPC1RAB9ALMNAPOLBMEN1
SCHEMBL9408845 0.80 NPC1 (0.42) NPC1RAB9ALMNAPOLBKMT2A
SCHEMBL9408834 0.80 NPC1 (0.45) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL9408926 0.80 NPC1 (0.42) NPC1RAB9ALMNAPOLBMEN1
SCHEMBL9408810 0.77 NPC1 (0.39) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL9437913 0.77 NPC1 (0.42) NPC1RAB9ALMNAPOLBKDM4E

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
EP-0593936-A1 N-[2-hydroxy-3-(2H-benzotriazol-2-yl)benzyl]oxamides as light stabilisers ELF ATOCHEM NORTH AMERICA, INC. (US) 1994-04-27 EP disclosed