SCHEMBL8525541

SCHEMBL8525541

CC(C)Cc1nnc(-c2ccccn2)[nH]c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.47
HTT P42858 5/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
LMNA P02545 4/20 0.47
KDM4E B2RXH2 4/20 0.47
TDP1 Q9NUW8 2/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 6/20 0.46
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
GAA P10253 1/20 0.46
HIF1A Q16665 1/20 0.46
BTK Q06187 1/20 0.44
MAPT P10636 2/20 0.43
AGTR1 P30556 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
KRAS P01116 2/20 0.42
HSP90AA1 P07900 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL8525906 0.78 HTT (0.50) SMN1; SMN2HTTL3MBTL1LMNAKDM4E
SCHEMBL8525373 0.77 HTT (0.46) SMN1; SMN2HTTL3MBTL1LMNAKDM4E
SCHEMBL11655439 0.76 L3MBTL1 (0.60) SMN1; SMN2HTTL3MBTL1LMNAKDM4E
SCHEMBL11652255 0.76 ALDH1A1 (0.49) SMN1; SMN2HTTL3MBTL1LMNAKDM4E
SCHEMBL8525364 0.75 L3MBTL1 (0.44) SMN1; SMN2HTTL3MBTL1LMNAKDM4E
SCHEMBL8525540 0.74 NPC1 (0.50) SMN1; SMN2HTTL3MBTL1LMNAKDM4E
Hydrochloric Acid SCHEMBL8523964 0.74 PDE5A (0.43) SMN1; SMN2HTTL3MBTL1LMNAKDM4E
SCHEMBL5730778 0.73 HTT (0.45) SMN1; SMN2HTTL3MBTL1LMNAKDM4E
SCHEMBL5916410 0.73 ALDH1A1 (0.44) SMN1; SMN2HTTL3MBTL1LMNAKDM4E
SCHEMBL5478697 0.73 KDM4E (0.59) SMN1; SMN2HTTL3MBTL1LMNAKDM4E

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