SCHEMBL8891909

SCHEMBL8891909

CN(C)S(=O)(=O)Cc1ccc(Nc2nc(Nc3cccc(Cl)c3)c3ccccc3n2)cc1

nearest known ligand 0.83

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 9/20 0.83
SOS1 Q07889 1/20 0.50
PDE5A O76074 4/20 0.49
ABCG2 Q9UNQ0 1/20 0.49
JAK2 O60674 1/20 0.49
BRD4 O60885 1/20 0.47
EGFR P00533 1/20 0.47
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL8898853 0.91 NPY5R (1.00) NPY5RPDE5A
Hydrochloric Acid SCHEMBL8900633 0.90 NPY5R (0.98) NPY5RPDE5A
SCHEMBL2590759 0.82 NPY5R (0.76) NPY5RSOS1PDE5AABCG2JAK2
SCHEMBL8900516 0.81 NPY5R (0.77) NPY5R
SCHEMBL2587936 0.81 NPY5R (0.84) NPY5RSOS1PDE5AABCG2EGFR
SCHEMBL8891585 0.81 NPY5R (0.77) NPY5RPDE5AEGFR
Hydrochloric Acid SCHEMBL8889724 0.80 NPY5R (0.76) NPY5REGFR
Hydrochloric Acid SCHEMBL8890109 0.80 NPY5R (0.76) NPY5R
SCHEMBL2592190 0.80 NPY5R (0.78) NPY5RSOS1PDE5AABCG2EGFR
Hydrochloric Acid SCHEMBL8890940 0.80 NPY5R (0.75) NPY5RPDE5AEGFR

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-1997020822-A1 QUINAZOLIN-2,4-DIAZIRINES AS NPY RECEPTOR ANTAGONIST NOVARTIS AG (CH) 1997-06-12 WO claimed