SCHEMBL366530

SCHEMBL366530

Cc1ccc2c(C#N)c3c(OCCc4ccccc4)cc(OC(=O)N(C)C)cc3n2c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
ACHE P22303 6/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 1/20 0.33
PLA2G4A P47712 2/20 0.32
SCN9A Q15858 1/20 0.32

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
SCHEMBL366079 0.89 KDM4E (0.42) CYP11B1CYP11B2ACHEMEN1ALDH1A1
SCHEMBL365005 0.87 CYP11B1 (0.37) CYP11B1CYP11B2ACHEMEN1MAPK1
SCHEMBL365215 0.85 ACHE (0.36) CYP11B1CYP11B2ACHESCN9A
SCHEMBL366815 0.81 MEN1 (0.45) MEN1ALDH1A1POLBMAPK1KMT2A
SCHEMBL367690 0.80 MEN1 (0.43) ACHEMEN1ALDH1A1POLBMAPK1
SCHEMBL366531 0.79 MEN1 (0.36) CYP11B1CYP11B2ACHEMEN1ALDH1A1
SCHEMBL365113 0.77 ALDH1A1 (0.41) CYP11B1CYP11B2MEN1ALDH1A1POLB
SCHEMBL366080 0.76 ALDH1A1 (0.38) CYP11B1CYP11B2ACHEMEN1ALDH1A1
SCHEMBL365188 0.75 CYP11B1 (0.39) CYP11B1CYP11B2ACHEALDH1A1KMT2A
SCHEMBL366611 0.73 ACHE (0.38) CYP11B1CYP11B2ACHEMEN1ALDH1A1

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
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed