SCHEMBL30320741

SCHEMBL30320741

Cc1ccc(C2=NC(Cc3ccccc3)CO2)cc1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.74
NPC1 O15118 3/20 0.74
RAB9A P51151 3/20 0.74
SMN1; SMN2 Q16637 3/20 0.74
POLB P06746 1/20 0.74
ALDH1A1 P00352 2/20 0.55
TAAR1 Q96RJ0 3/20 0.55
HRH3 Q9Y5N1 1/20 0.51
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
MAPK1 P28482 1/20 0.40
CES2 O00748 1/20 0.39

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
SCHEMBL27259774 0.89 MAPT (0.80) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL1337583 0.85 MAPT (0.65) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL12786229 0.84 MAPT (0.71) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL1983682 0.84 MAPT (0.71) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL14351756 0.82 MAPT (0.72) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL15843136 0.81 MAPT (0.64) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL27838363 0.80 MAPT (0.67) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL27838360 0.80 MAPT (0.67) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL9627699 0.79 MAPT (0.52) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL1639977 0.78 TAAR1 (0.65) MAPTNPC1RAB9ASMN1; SMN2POLB

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-115572287-A Chiral amino acid C-glucoside and synthesis method thereof 南方科技大学 2023-01-06 CN disclosed