Sugi Predict

Sugi Predict / Compounds / SCHEMBL751927

SCHEMBL751927

SCHEMBL751927

N#Cc1ccc(-c2cncc(C(CCS(N)(=O)=O)C3CC3)c2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 17/20 0.43
▸ CYP11B1 P15538 15/20 0.43
▸ STS P08842 1/20 0.34
▸ CYP19A1 P11511 1/20 0.34
▸ GRIA2 P42262 1/20 0.33
▸ CASP1 P29466 1/20 0.33

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
SCHEMBL28165933 0.85 XDH (0.38) CYP11B2CYP11B1GRIA2
SCHEMBL3477333 0.82 CYP11B2 (0.47) CYP11B2CYP11B1CASP1
SCHEMBL751926 0.79 CYP11B2 (0.43) CYP11B2CYP11B1GRIA2
SCHEMBL3748498 0.79 CYP11B2 (0.51) CYP11B2CYP11B1
SCHEMBL3751450 0.77 CYP11B2 (0.43) CYP11B2CYP11B1CASP1
SCHEMBL6119593 0.77 PIP4K2A (0.45) CYP11B2CYP11B1
SCHEMBL751429 0.77 CYP11B2 (0.47) CYP11B2CYP11B1GRIA2
SCHEMBL745296 0.77 CYP11B2 (0.47) CYP11B2CYP11B1GRIA2
SCHEMBL29885851 0.77 CYP11B2 (0.47) CYP11B2CYP11B1GRIA2
SCHEMBL745295 0.77 CYP11B2 (0.47) CYP11B2CYP11B1GRIA2

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