SCHEMBL7259762

SCHEMBL7259762

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

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FNTA P49354 9/20 0.47
FNTB P49356 9/20 0.47
CYP11B1 P15538 3/20 0.45
CYP11B2 P19099 3/20 0.45
PGGT1B P53609 2/20 0.42
MAPKAPK2 P49137 1/20 0.41

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
SCHEMBL7258754 0.92 FNTA (0.48) FNTAFNTBCYP11B1CYP11B2MAPKAPK2
SCHEMBL7255218 0.90 CYP11B1 (0.48) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL7259737 0.90 FNTA (0.51) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL7258763 0.89 FNTA (0.43) FNTAFNTBCYP11B1CYP11B2MAPKAPK2
SCHEMBL7258745 0.86 FNTA (0.57) FNTAFNTBCYP11B1CYP11B2
SCHEMBL7255266 0.86 CYP11B1 (0.44) FNTAFNTBCYP11B1CYP11B2
SCHEMBL7254956 0.83 CYP11B1 (0.51) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL7255356 0.82 FNTA (0.49) FNTAFNTBPGGT1BMAPKAPK2
SCHEMBL7255227 0.81 CYP11B1 (0.48) FNTAFNTBCYP11B1CYP11B2MAPKAPK2
SCHEMBL7255988 0.81 CYP11B1 (0.46) FNTAFNTBCYP11B1CYP11B2MAPKAPK2

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