SCHEMBL8900516

SCHEMBL8900516

CN(C)S(=O)(=O)Cc1ccc(Nc2nc(Nc3ccccc3)c3cc(-c4ccccc4)ccc3n2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 9/20 0.77
BRAF P15056 1/20 0.48
TRIM58 Q8NG06 3/20 0.46
LMNA P02545 3/20 0.44
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2D6 P10635 3/20 0.44
USP2 O75604 2/20 0.44
CLK4 Q9HAZ1 2/20 0.44
MEN1 O00255 2/20 0.44
TSHR P16473 2/20 0.44
CYP2C19 P33261 2/20 0.44
KMT2A Q03164 2/20 0.44
HIF1A Q16665 2/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CG P48736 1/20 0.44
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 1/20 0.43
EGLN1 Q9GZT9 1/20 0.42
MAPKAPK2 P49137 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
Hydrochloric Acid SCHEMBL8890109 0.99 NPY5R (0.76) NPY5RBRAFTRIM58LMNACYP1A2
SCHEMBL8898853 0.87 NPY5R (1.00) NPY5R
Hydrochloric Acid SCHEMBL8889724 0.87 NPY5R (0.76) NPY5R
Hydrochloric Acid SCHEMBL8900633 0.86 NPY5R (0.98) NPY5R
SCHEMBL8891909 0.81 NPY5R (0.83) NPY5R
SCHEMBL8897789 0.81 NPY5R (0.66) NPY5RBRAFTRIM58LMNACYP1A2
SCHEMBL8891585 0.79 NPY5R (0.77) NPY5R
Hydrochloric Acid SCHEMBL8890940 0.78 NPY5R (0.75) NPY5R
SCHEMBL8890967 0.78 NPY5R (0.74) NPY5R
Hydrochloric Acid SCHEMBL8900310 0.77 NPY5R (0.72) NPY5R

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