SCHEMBL8934664

SCHEMBL8934664

Nc1nc(CCc2ccc(NC3=NCCS3)cc2)cs1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.65
NOS1 P29475 1/20 0.51
NPY1R P25929 13/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.40

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
SCHEMBL8934597 0.81 AOC3 (0.56) AOC3NPY1RPOLBHPGD
SCHEMBL8934623 0.80 AOC3 (0.55) AOC3NPY1RPOLBHPGD
SCHEMBL4875628 0.79 AOC3 (1.00) AOC3NPY1R
SCHEMBL8934626 0.73 AOC3 (0.89) AOC3NPY1R
SCHEMBL9629092 0.72 POLB (0.55) AOC3NPY1RPOLBHPGD
SCHEMBL8934638 0.72 AOC3 (0.68) AOC3NPY1RPOLB
SCHEMBL8934601 0.71 SMN1; SMN2 (0.53) AOC3NPY1RPOLBHPGD
SCHEMBL9629111 0.71 POLB (0.54) AOC3NPY1RPOLBHPGD
SCHEMBL8934565 0.71 AOC3 (0.70) AOC3NPY1RPOLB
SCHEMBL9628458 0.70 POLB (0.53) AOC3NPY1RPOLBHPGD

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