SCHEMBL7255266

SCHEMBL7255266

COC(=O)CCC(NC(=O)c1ccc(-c2ccc(N(Cc3cncn3Cc3ccc(C#N)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)cc2)o1)SC

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
FNTA P49354 11/20 0.42
FNTB P49356 11/20 0.42

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
SCHEMBL7258745 0.87 FNTA (0.57) CYP11B1CYP11B2FNTAFNTB
SCHEMBL7259762 0.86 FNTA (0.47) CYP11B1CYP11B2FNTAFNTB
SCHEMBL7258763 0.85 FNTA (0.43) CYP11B1CYP11B2FNTAFNTB
SCHEMBL7258754 0.83 FNTA (0.48) CYP11B1CYP11B2FNTAFNTB
SCHEMBL7260677 0.81 FNTA (0.47) CYP11B1CYP11B2FNTAFNTB
SCHEMBL7260673 0.81 FNTA (0.49) FNTAFNTB
SCHEMBL7258702 0.80 FNTA (0.49) FNTAFNTB
SCHEMBL7255071 0.78 FNTA (0.48) FNTAFNTB
SCHEMBL7255218 0.76 CYP11B1 (0.48) CYP11B1CYP11B2FNTAFNTB
SCHEMBL7259737 0.76 FNTA (0.51) CYP11B1CYP11B2FNTAFNTB

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-2003099812-A1 PHENYL-FURAN OR PHENYL-THIOPHENE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICINE PIERRE FABRE MEDICAMENT (FR) 2003-12-04 WO disclosed