SCHEMBL749433

SCHEMBL749433

CC(C(C)(C)c1cncc(-c2ccc(C#N)c(Cl)c2)c1)S(N)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 17/20 0.46
CYP11B1 P15538 15/20 0.46
SLC22A12 Q96S37 2/20 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
SCHEMBL3756583 0.77 CYP11B2 (0.47) CYP11B2CYP11B1SLC22A12
SCHEMBL751926 0.73 CYP11B2 (0.43) CYP11B2CYP11B1
SCHEMBL748530 0.70 CYP11B2 (0.68) CYP11B2CYP11B1
SCHEMBL3742204 0.70 CYP11B2 (0.48) CYP11B2CYP11B1SLC22A12
SCHEMBL746742 0.70 CYP11B2 (0.49) CYP11B2CYP11B1SLC22A12
SCHEMBL3747120 0.69 CYP11B2 (0.46) CYP11B2CYP11B1
SCHEMBL3477444 0.68 CYP11B2 (0.53) CYP11B2CYP11B1SLC22A12
SCHEMBL744419 0.68 SLC22A12 (0.35) SLC22A12
SCHEMBL746962 0.67 CYP11B2 (0.58) CYP11B2CYP11B1
SCHEMBL746772 0.67 CYP11B2 (0.54) CYP11B2CYP11B1

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
EP-2429995-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS Novartis AG (CH) 2012-03-21 EP disclosed