SCHEMBL8934607

SCHEMBL8934607

CN(C)Cc1ccc(CCc2ccc(NC3=NCCS3)cc2)o1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.47
POLB P06746 1/20 0.46
NPY1R P25929 12/20 0.44
KMT2A Q03164 1/20 0.40
TSHR P16473 1/20 0.40
HPGD P15428 1/20 0.39
ALDH1A1 P00352 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 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
SCHEMBL8934522 0.77 POLB (0.52) AOC3POLBNPY1RHPGDALDH1A1
SCHEMBL9629092 0.74 POLB (0.55) AOC3POLBNPY1RKMT2ATSHR
SCHEMBL9629111 0.73 POLB (0.54) AOC3POLBNPY1RKMT2ATSHR
SCHEMBL9628556 0.72 POLB (0.53) AOC3POLBNPY1RKMT2ATSHR
SCHEMBL9628041 0.72 POLB (0.53) AOC3POLBNPY1RKMT2ATSHR
SCHEMBL9628458 0.72 POLB (0.53) AOC3POLBNPY1RKMT2ATSHR
SCHEMBL9375321 0.69 AOC3 (0.47) AOC3POLBKMT2ATSHRALDH1A1
SCHEMBL9381422 0.69 ACHE (0.51) BCHEACHE
SCHEMBL8934491 0.68 POLB (0.48) AOC3POLBNPY1R
SCHEMBL8934664 0.68 AOC3 (0.65) AOC3POLBNPY1RHPGD

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