SCHEMBL8934597

SCHEMBL8934597

Nc1cccc(CCc2ccc(NC3=NCCS3)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.56
NPY1R P25929 14/20 0.50
POLB P06746 1/20 0.50
BACE1 P56817 1/20 0.43
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
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
SCHEMBL8934623 0.82 AOC3 (0.55) AOC3NPY1RPOLBHPGD
SCHEMBL8934664 0.81 AOC3 (0.65) AOC3NPY1RPOLBHPGD
SCHEMBL8934565 0.80 AOC3 (0.70) AOC3NPY1RPOLB
SCHEMBL8934638 0.74 AOC3 (0.68) AOC3NPY1RPOLB
SCHEMBL8934601 0.74 SMN1; SMN2 (0.53) AOC3NPY1RPOLBHSD17B10HPGD
SCHEMBL8934522 0.72 POLB (0.52) AOC3NPY1RPOLBHSD17B10HPGD
SCHEMBL9629092 0.72 POLB (0.55) AOC3NPY1RPOLBHPGD
SCHEMBL4875628 0.72 AOC3 (1.00) AOC3NPY1R
SCHEMBL9629111 0.71 POLB (0.54) AOC3NPY1RPOLBHPGD
SCHEMBL9628041 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