SCHEMBL744419

SCHEMBL744419

CC(C(C)(C)c1cncc(Br)c1)S(N)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.35
APLNR P35414 3/20 0.33
MEN1 O00255 2/20 0.32
LMNA P02545 2/20 0.32
GAA P10253 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
HPGD P15428 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA5A P35218 1/20 0.31
CA9 Q16790 1/20 0.31
PTGS2 P35354 1/20 0.30
EGFR P00533 1/20 0.30

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
SCHEMBL31453955 0.71 SLC22A12 (0.38) SLC22A12MAPTKDM4EPOLBHCAR2
SCHEMBL2732538 0.69 CYP1A2 (0.39) SLC22A12MAPTKDM4EPOLBHCAR2
SCHEMBL15463768 0.69 POLB (0.38) SLC22A12ALDH1A1MAPTKDM4EPOLB
SCHEMBL749433 0.68 CYP11B2 (0.46) SLC22A12
SCHEMBL24534060 0.66 CYP11B1 (0.42) SLC22A12MAPTKDM4EPOLBHCAR2
SCHEMBL746198 0.66 POLB (0.41) POLBHCAR2CYP1A2CYP3A4CYP2C19
SCHEMBL3507833 0.66 CYP11B1 (0.42) SLC22A12MAPTKDM4EPOLBHCAR2
SCHEMBL13724593 0.66 POLB (0.37) SLC22A12MEN1KMT2AMAPTKDM4E
SCHEMBL3476604 0.66 KDM4E (0.38) SLC22A12MEN1LMNAGAAKMT2A
SCHEMBL31226639 0.65 KDM4E (0.40) LMNAMAPTKDM4EPOLBHCAR2

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