SCHEMBL8934491

SCHEMBL8934491

c1cc(NC2=NCCS2)ccc1CCN1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
NPY1R P25929 8/20 0.46
L3MBTL3 Q96JM7 1/20 0.45
AOC3 Q16853 1/20 0.44
CDK1 P06493 2/20 0.44
KDR P35968 2/20 0.44
SIGMAR1 Q99720 1/20 0.44
TNIK Q9UKE5 1/20 0.42
IGF1R P08069 3/20 0.42
EGFR P00533 1/20 0.41

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
SCHEMBL8934611 0.85 POLB (0.48) POLBNPY1RAOC3SIGMAR1
SCHEMBL8934627 0.80 AOC3 (0.53) POLBNPY1RAOC3
SCHEMBL8934519 0.75 POLB (0.54) POLBNPY1RAOC3
SCHEMBL15137345 0.73 SIGMAR1 (0.57) POLBL3MBTL3AOC3CDK1KDR
SCHEMBL9629092 0.73 POLB (0.55) POLBNPY1RAOC3
SCHEMBL8009145 0.72 SIGMAR1 (0.55) POLBL3MBTL3SIGMAR1TNIK
SCHEMBL14980018 0.72 SIGMAR1 (0.55) POLBL3MBTL3CDK1KDRSIGMAR1
SCHEMBL9628458 0.71 POLB (0.53) POLBNPY1RAOC3
SCHEMBL9628041 0.71 POLB (0.53) POLBNPY1RAOC3
SCHEMBL9628556 0.71 POLB (0.53) POLBNPY1RAOC3

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