SCHEMBL30634440

SCHEMBL30634440

CN(C)/C=C(/Oc1ccccc1C#N)C(=O)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 12/20 0.65
CYP11B2 P19099 10/20 0.65
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38

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
SCHEMBL19212979 0.79 CYP11B1 (1.00) CYP11B1CYP11B2
SCHEMBL30634454 0.77 CYP11B1 (0.67) CYP11B1CYP11B2ALDH1A1
SCHEMBL30634470 0.77 CYP11B1 (0.67) CYP11B1CYP11B2
SCHEMBL30634453 0.75 CYP11B1 (0.67) CYP11B1CYP11B2ALDH1A1
SCHEMBL30634436 0.74 CYP11B1 (0.55) CYP11B1CYP11B2
SCHEMBL29599903 0.73 CYP11B1 (0.40) CYP11B1CYP11B2SMN1; SMN2
SCHEMBL30634465 0.73 CYP11B1 (0.69) CYP11B1CYP11B2
SCHEMBL30634455 0.73 CYP11B1 (0.52) CYP11B1CYP11B2
SCHEMBL30634446 0.73 CYP11B1 (0.69) CYP11B1CYP11B2
SCHEMBL17723869 0.72 CYP11B1 (1.00) CYP11B1CYP11B2SMN1; SMN2

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-3212636-B1 NEW PYRIDINYLOXY- AND PHENYLOXY-PYRAZOLYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2023-11-29 EP disclosed