Sugi Predict

Sugi Predict / Compounds / SCHEMBL751926

SCHEMBL751926

SCHEMBL751926

CC(C(c1cncc(-c2ccc(C#N)c(Cl)c2)c1)C1CC1)S(N)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 17/20 0.43
▸ CYP11B1 P15538 15/20 0.43
▸ GRIA2 P42262 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.35
▸ AR P10275 1/20 0.34

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
SCHEMBL746432 0.84 CYP11B2 (0.40) CYP11B2CYP11B1GRIA2
SCHEMBL3750952 0.81 CYP11B2 (0.45) CYP11B2CYP11B1
SCHEMBL3748498 0.80 CYP11B2 (0.51) CYP11B2CYP11B1
SCHEMBL751927 0.79 CYP11B2 (0.43) CYP11B2CYP11B1GRIA2
SCHEMBL749863 0.79 GRIA2 (0.45) CYP11B2CYP11B1GRIA2LRRK2
SCHEMBL765352 0.79 CYP11B2 (0.44) CYP11B2CYP11B1GRIA2LRRK2
SCHEMBL751772 0.78 CYP11B2 (0.42) CYP11B2CYP11B1GRIA2
SCHEMBL751429 0.77 CYP11B2 (0.47) CYP11B2CYP11B1GRIA2LRRK2
SCHEMBL745296 0.77 CYP11B2 (0.47) CYP11B2CYP11B1GRIA2LRRK2
SCHEMBL29885851 0.77 CYP11B2 (0.47) CYP11B2CYP11B1GRIA2LRRK2

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 2 patents. 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
WO-2010130796-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2010-11-18 — — WO disclosed