SCHEMBL8928795

SCHEMBL8928795

Cc1nc2cc(-c3ccccc3)nn2c(O)c1CC(=O)O.[NaH].[NaH]

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.52
POLB P06746 1/20 0.52
HPGD P15428 4/20 0.51
ALDH1A1 P00352 4/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NFKB1 P19838 1/20 0.51
HTT P42858 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
KDM4E B2RXH2 3/20 0.50
GAA P10253 1/20 0.50
TP53 P04637 1/20 0.48
THRB P10828 1/20 0.48
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL470323 0.87 MAPT (0.52) MAPTPOLBHPGDALDH1A1NPC1
SCHEMBL8570609 0.86 MAPT (0.62) MAPTPOLBHPGDALDH1A1NPC1
SCHEMBL21775472 0.84 MAPT (0.57) MAPTPOLBHPGDALDH1A1NPC1
SCHEMBL1665475 0.78 MAPT (0.63) MAPTPOLBHPGDALDH1A1NPC1
SCHEMBL18405022 0.77 MAPT (0.50) MAPTPOLBHPGDALDH1A1NPC1
SCHEMBL15475992 0.77 NPC1 (0.53) MAPTPOLBHPGDALDH1A1NPC1
SCHEMBL457202 0.77 DPP4 (0.52) MAPTPOLBHPGDALDH1A1SMN1; SMN2
SCHEMBL15570091 0.76 NPC1 (0.55) MAPTPOLBHPGDALDH1A1NPC1
SCHEMBL15226771 0.76 MAPT (0.48) MAPTPOLBHPGDALDH1A1SMN1; SMN2
SCHEMBL18405033 0.76 MAPT (0.49) MAPTPOLBHPGDALDH1A1NPC1

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-0795555-A1 ANALGESICS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1997-09-17 EP disclosed