SCHEMBL7566053

SCHEMBL7566053

CC(O)Cc1cc(Cc2cc(CC(C)O)cc(-n3nc4ccccc4n3)c2O)c(O)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.44
RAB9A P51151 7/20 0.44
LMNA P02545 2/20 0.40
POLB P06746 3/20 0.40
KDM4E B2RXH2 8/20 0.34
ALDH1A1 P00352 7/20 0.33
HPGD P15428 6/20 0.33
MAPT P10636 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CASP3 P42574 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
MEN1 O00255 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30

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
SCHEMBL7564694 0.88 NPC1 (0.35) NPC1RAB9APOLB
SCHEMBL7568491 0.87 NPC1 (0.37) NPC1RAB9ALMNAKDM4EHPGD
SCHEMBL9468018 0.84 NPC1 (0.46) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL75918 0.82 NPC1 (0.46) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL4444920 0.81 NPC1 (0.46) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL21802375 0.81 NPC1 (0.43) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL20363907 0.80 NPC1 (0.47) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL27503342 0.80 RAB9A (0.57) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL30112936 0.80 KDM4E (0.46) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL342550 0.80 KDM4E (0.46) 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-0855393-B1 BISBENZOTRIAZOLYLPHENOLS OTSUKA KAGAKU KK (JP) 2002-08-14 EP claimed