SCHEMBL8525904

SCHEMBL8525904

CC(C)c1n[nH]c(-c2ccccn2)nc1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
L3MBTL1 Q9Y468 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
TDP1 Q9NUW8 2/20 0.54
PKM P14618 2/20 0.54
ALPL P05186 1/20 0.54
ALOX15 P16050 1/20 0.54
HSD17B10 Q99714 1/20 0.54
BTK Q06187 1/20 0.50
KDM4E B2RXH2 3/20 0.48
F2 P00734 2/20 0.46
F12 P00748 2/20 0.46
PLAU P00749 1/20 0.46
NOTUM Q6P988 1/20 0.43
HTT P42858 3/20 0.41
LMNA P02545 3/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL8525369 0.86 NPC1 (0.49) NPC1RAB9AL3MBTL1SMN1; SMN2TDP1
SCHEMBL8525540 0.79 NPC1 (0.50) NPC1RAB9AL3MBTL1SMN1; SMN2TDP1
SCHEMBL8524775 0.75 NPC1 (0.63) NPC1RAB9AL3MBTL1SMN1; SMN2TDP1
SCHEMBL30030958 0.73 NPC1 (0.66) NPC1RAB9AL3MBTL1SMN1; SMN2TDP1
SCHEMBL2003184 0.73 NPC1 (0.66) NPC1RAB9AL3MBTL1SMN1; SMN2TDP1
SCHEMBL8525086 0.72 RAB9A (0.60) NPC1RAB9AL3MBTL1SMN1; SMN2TDP1
SCHEMBL17321504 0.72 NPC1 (0.53) NPC1RAB9AL3MBTL1SMN1; SMN2TDP1
SCHEMBL8524984 0.72 KDM4E (0.49) NPC1RAB9AL3MBTL1SMN1; SMN2TDP1
SCHEMBL8525257 0.72 SMN1; SMN2 (0.49) NPC1RAB9AL3MBTL1SMN1; SMN2TDP1
SCHEMBL18112556 0.72 NPC1 (0.55) NPC1RAB9AL3MBTL1SMN1; SMN2TDP1

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
WO-1999007352-A2 METHOD FOR PROMOTING EXPRESSION OF LDL RECEPTOR GENE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1999-02-18 WO claimed
WO-1999007352-A2 METHOD FOR PROMOTING EXPRESSION OF LDL RECEPTOR GENE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1999-02-18 WO disclosed