SCHEMBL807763

SCHEMBL807763

Cc1ccncc1N1CCc2scc(-c3ccc(I)cc3)c2C1=O

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.33
CYP11B1 P15538 2/20 0.33
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
CYP17A1 P05093 4/20 0.31
CYP1A2 P05177 2/20 0.31
GABRA1 P14867 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA3 P34903 2/20 0.31
GABRA5 P31644 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRA4 P48169 1/20 0.31
GABRA6 Q16445 1/20 0.31
MAPT P10636 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
SCHEMBL15467500 0.90 P2RX7 (0.37) CYP11B2CYP11B1CYP17A1GABRA1GABRG2
SCHEMBL807456 0.75 MAPT (0.36) CYP11B2CYP11B1CYP17A1MAPT
SCHEMBL794339 0.70 CYP17A1 (0.37) CYP17A1CYP1A2MAPT
SCHEMBL793782 0.69 CDC7 (0.40) CYP11B2CYP11B1CYP17A1
SCHEMBL10286704 0.69 CYP11B2 (0.38) CYP11B2CYP11B1CYP17A1MAPT
SCHEMBL807907 0.68 CYP11B2 (0.43) CYP11B2CYP11B1CYP17A1CYP1A2GABRA1
SCHEMBL807995 0.68 CYP11B2 (0.42) CYP11B2CYP11B1MAPT
SCHEMBL798823 0.67 CYP17A1 (0.52) CYP17A1MAPT
SCHEMBL798870 0.66 CYP11B2 (0.47) CYP11B2CYP11B1CYP17A1CYP1A2
SCHEMBL793874 0.66 CHRM1 (0.41) CYP11B2CYP11B1

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
WO-2012035078-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 WO disclosed