SCHEMBL8934638

SCHEMBL8934638

CC(=O)Nc1nccc(CCc2ccc(NC3=NCCS3)cc2)n1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 4/20 0.68
NPY1R P25929 10/20 0.42
GLA P06280 1/20 0.41
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.38

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
SCHEMBL8934623 0.82 AOC3 (0.55) AOC3NPY1RPOLBKMT2A
SCHEMBL8934565 0.82 AOC3 (0.70) AOC3NPY1RGLAPOLBALDH1A1
SCHEMBL4875628 0.81 AOC3 (1.00) AOC3NPY1RKMT2A
SCHEMBL6795355 0.76 AOC3 (0.50) AOC3MAPT
SCHEMBL8934626 0.76 AOC3 (0.89) AOC3NPY1RKMT2A
SCHEMBL8934597 0.74 AOC3 (0.56) AOC3NPY1RPOLB
SCHEMBL9376417 0.73 ALDH1A1 (0.48) AOC3POLBALDH1A1MAPTGAA
SCHEMBL8934664 0.72 AOC3 (0.65) AOC3NPY1RPOLB
SCHEMBL4867029 0.69 AOC3 (0.62) AOC3NPY1RGLA
SCHEMBL9629092 0.69 POLB (0.55) AOC3NPY1RPOLBALDH1A1KMT2A

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-1996030350-A1 AMIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-03 WO disclosed