SCHEMBL28033827

SCHEMBL28033827

Nc1ncc(C(=O)c2cccs2)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.51
HTT P42858 1/20 0.51
ALDH1A1 P00352 5/20 0.49
NPC1 O15118 5/20 0.49
HSD17B10 Q99714 4/20 0.49
KMT2A Q03164 4/20 0.49
RAB9A P51151 4/20 0.49
MEN1 O00255 3/20 0.49
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 2/20 0.49
TP53 P04637 1/20 0.49
GAA P10253 1/20 0.49
NFKB1 P19838 1/20 0.49
MAPK1 P28482 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL182010 0.78 CES2 (0.71) HPGDHTTALDH1A1NPC1HSD17B10
SCHEMBL6319469 0.76 NPC1 (0.63) HPGDHTTALDH1A1NPC1HSD17B10
SCHEMBL6494787 0.74 HPGD (0.72) HPGDHTTALDH1A1NPC1HSD17B10
SCHEMBL28033271 0.72 CES2 (0.44) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5217935 0.72 MAPT (0.55) HPGDHTTALDH1A1NPC1HSD17B10
Cyclopentane SCHEMBL8081415 0.72 HPGDS (0.63) HPGDHTTALDH1A1NPC1HSD17B10
SCHEMBL231104 0.71 MAPK13 (0.60) ALDH1A1LMNAGAA
SCHEMBL15672439 0.71 MAPK13 (0.41) ALDH1A1NPC1HSD17B10KMT2ARAB9A
SCHEMBL1631557 0.70
SCHEMBL1636287 0.70

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
CN-104870464-A polymannosides, method for the production thereof and their use as medicaments CENTRE NAT RECH SCIENT 2015-08-26 CN disclosed