SCHEMBL5801906

SCHEMBL5801906

COc1ccnc(COP(O)(O)=S)c1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.36
GAA P10253 7/20 0.34
ALDH1A1 P00352 7/20 0.33
MAPT P10636 7/20 0.33
RAB9A P51151 5/20 0.33
SMN1; SMN2 Q16637 5/20 0.33
HPGD P15428 4/20 0.33
KDM4E B2RXH2 4/20 0.33
LMNA P02545 4/20 0.33
MAPK1 P28482 4/20 0.33
ALOX12 P18054 3/20 0.33
NFKB1 P19838 3/20 0.33
CYP3A4 P08684 3/20 0.33
NFKB2 Q00653 2/20 0.33
RELA Q04206 2/20 0.33
ALOX15 P16050 2/20 0.33
TP53 P04637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 2/20 0.33

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
SCHEMBL16921629 0.75 ALOX5 (0.41) NPC1GAAALDH1A1MAPTRAB9A
SCHEMBL6130010 0.74 MAPK1 (0.39) NPC1GAAALDH1A1MAPTRAB9A
SCHEMBL9238085 0.73 NPC1 (0.41) NPC1GAAALDH1A1MAPTRAB9A
SCHEMBL7118342 0.65 MAPK1 (0.45) NPC1GAAALDH1A1MAPTRAB9A
SCHEMBL8198856 0.65 KDM4E (0.45) NPC1GAAALDH1A1MAPTRAB9A
SCHEMBL24122438 0.64 MAPT (0.44) NPC1GAAALDH1A1MAPTRAB9A
SCHEMBL30032251 0.64 NOS3 (0.44) NPC1GAAALDH1A1MAPTRAB9A
SCHEMBL5657009 0.64 KDM4E (0.43) NPC1GAAALDH1A1MAPTRAB9A
SCHEMBL15469493 0.64 MAPT (0.43) NPC1GAAALDH1A1MAPTRAB9A
SCHEMBL28861826 0.64 KDM4E (0.43) NPC1GAAALDH1A1MAPTRAB9A

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
WO-2006066260-A2 COMPOSITIONS OF AND METHODS FOR PRODUCING PHOSPHORUS-CHIRAL MONOMERS AND OLIGOMERS THIOSENSE, INC. (US) 2006-06-22 WO disclosed