SCHEMBL8934522

SCHEMBL8934522

c1coc(CCc2ccc(NC3=NCCS3)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
NPY1R P25929 11/20 0.49
AOC3 Q16853 1/20 0.47
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
HPGD P15428 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL8934607 0.77 AOC3 (0.47) POLBNPY1RAOC3HPGDALDH1A1
SCHEMBL9629092 0.74 POLB (0.55) POLBNPY1RAOC3HPGDALDH1A1
SCHEMBL9629111 0.73 POLB (0.54) POLBNPY1RAOC3HPGDALDH1A1
SCHEMBL8934597 0.72 AOC3 (0.56) POLBNPY1RAOC3HPGDHSD17B10
SCHEMBL9628041 0.72 POLB (0.53) POLBNPY1RAOC3HPGDALDH1A1
SCHEMBL9628556 0.72 POLB (0.53) POLBNPY1RAOC3HPGDALDH1A1
SCHEMBL9628458 0.72 POLB (0.53) POLBNPY1RAOC3HPGDALDH1A1
SCHEMBL8934623 0.72 AOC3 (0.55) POLBNPY1RAOC3HPGD
SCHEMBL8934491 0.71 POLB (0.48) POLBNPY1RAOC3
SCHEMBL8934664 0.70 AOC3 (0.65) POLBNPY1RAOC3HPGD

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