SCHEMBL8556549

SCHEMBL8556549

O=CNc1nc(C(=O)O)cs1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.59
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
POLB P06746 2/20 0.47
GAA P10253 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.40
PLA2G4A P47712 1/20 0.40
ACHE P22303 1/20 0.40
KDM1A O60341 1/20 0.37
AMY1A P0DUB6 1/20 0.37

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
SCHEMBL3456250 0.86 L3MBTL1 (0.44) L3MBTL1ALDH1A1MEN1MAPTKMT2A
Water SCHEMBL28763066 0.84 L3MBTL1 (0.42) L3MBTL1ALDH1A1MEN1MAPTKMT2A
SCHEMBL7127672 0.84 GAA (0.42) L3MBTL1ALDH1A1MEN1MAPTKMT2A
SCHEMBL11166163 0.82 L3MBTL1 (0.41) L3MBTL1ALDH1A1MEN1MAPTKMT2A
SCHEMBL11166167 0.82 L3MBTL1 (0.41) L3MBTL1ALDH1A1MEN1MAPTKMT2A
SCHEMBL10830669 0.81 GAA (0.40) L3MBTL1ALDH1A1MEN1MAPTKMT2A
SCHEMBL11162685 0.80 L3MBTL1 (0.40) L3MBTL1ALDH1A1MEN1MAPTKMT2A
SCHEMBL6051515 0.80 GAA (0.45) L3MBTL1ALDH1A1MEN1MAPTKMT2A
SCHEMBL11162696 0.80 L3MBTL1 (0.40) L3MBTL1ALDH1A1MEN1MAPTKMT2A
SCHEMBL9477218 0.80 L3MBTL1 (0.40) L3MBTL1ALDH1A1MEN1MAPTKMT2A

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