SCHEMBL8556545

SCHEMBL8556545

O=[C]Nc1nc(C(=O)O)cs1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.59
POLB P06746 2/20 0.47
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 1/20 0.40
PLA2G4A P47712 1/20 0.40
ACHE P22303 1/20 0.40
KDM1A O60341 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36

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
SCHEMBL6981781 0.81 SMN1; SMN2 (0.47) L3MBTL1ALDH1A1MEN1MAPTKMT2A
SCHEMBL23615217 0.78 L3MBTL1 (0.64) L3MBTL1POLBALDH1A1MEN1MAPT
SCHEMBL1809197 0.77 L3MBTL1 (0.68) L3MBTL1POLBALDH1A1MEN1MAPT
SCHEMBL17895483 0.77 L3MBTL1 (0.62) L3MBTL1POLBALDH1A1MEN1MAPT
Hydrochloric Acid SCHEMBL12080962 0.76 L3MBTL1 (0.66) L3MBTL1POLBALDH1A1MEN1MAPT
SCHEMBL8556549 0.74 L3MBTL1 (0.59) L3MBTL1POLBALDH1A1MEN1MAPT
SCHEMBL758061 0.74 L3MBTL1 (1.00) L3MBTL1POLBMAPTKMT2ANPC1
SCHEMBL18471674 0.73 L3MBTL1 (0.62) L3MBTL1POLBALDH1A1MEN1MAPT
SCHEMBL2744060 0.73 L3MBTL1 (0.62) L3MBTL1POLBALDH1A1MEN1MAPT
SCHEMBL25083597 0.73 L3MBTL1 (0.62) L3MBTL1POLBALDH1A1MEN1MAPT

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
EP-0454511-B1 N-substituted heterocycle derivatives, their preparation, compositions containing them SANOFI SA (FR) 1998-06-17 EP claimed