SCHEMBL8525540

SCHEMBL8525540

CC(C)Cc1n[nH]c(-c2ccccn2)nc1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.50
RAB9A P51151 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALPL P05186 1/20 0.50
PKM P14618 1/20 0.50
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TRPM8 Q7Z2W7 1/20 0.48
BTK Q06187 1/20 0.47
KDM4E B2RXH2 1/20 0.45
F2 P00734 2/20 0.43
F12 P00748 2/20 0.43
PLAU P00749 1/20 0.43
NOTUM Q6P988 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
KRAS P01116 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL18112556 0.80 NPC1 (0.55) NPC1RAB9AL3MBTL1SMN1; SMN2ALPL
SCHEMBL8525904 0.79 NPC1 (0.54) NPC1RAB9AL3MBTL1SMN1; SMN2ALPL
SCHEMBL8525369 0.77 NPC1 (0.49) NPC1RAB9AL3MBTL1SMN1; SMN2ALPL
SCHEMBL8525362 0.75 L3MBTL1 (0.47) NPC1RAB9AL3MBTL1SMN1; SMN2ALPL
Hydrochloric Acid SCHEMBL8523960 0.74 NPC1 (0.46) NPC1RAB9AL3MBTL1SMN1; SMN2ALPL
SCHEMBL8525541 0.74 SMN1; SMN2 (0.47) NPC1RAB9AL3MBTL1SMN1; SMN2PKM
SCHEMBL8524721 0.72 L3MBTL1 (0.46) NPC1RAB9AL3MBTL1SMN1; SMN2ALPL
SCHEMBL8525157 0.72 LMNA (0.54) NPC1RAB9AL3MBTL1SMN1; SMN2ALPL
SCHEMBL8524775 0.71 NPC1 (0.63) NPC1RAB9AL3MBTL1SMN1; SMN2ALPL
SCHEMBL2003184 0.70 NPC1 (0.66) NPC1RAB9AL3MBTL1SMN1; SMN2ALPL

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