SCHEMBL7258754

SCHEMBL7258754

N#Cc1ccc(Cn2cncc2CN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(-c3ccc(C(=O)O)o3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FNTA P49354 4/20 0.48
FNTB P49356 4/20 0.48
MAPKAPK2 P49137 4/20 0.42
CYP11B1 P15538 3/20 0.41
CYP11B2 P19099 3/20 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
SCHEMBL7259762 0.92 FNTA (0.47) FNTAFNTBMAPKAPK2CYP11B1CYP11B2
SCHEMBL7255356 0.90 FNTA (0.49) FNTAFNTBMAPKAPK2
SCHEMBL7255227 0.89 CYP11B1 (0.48) FNTAFNTBMAPKAPK2CYP11B1CYP11B2
SCHEMBL7258763 0.88 FNTA (0.43) FNTAFNTBMAPKAPK2CYP11B1CYP11B2
SCHEMBL7255266 0.83 CYP11B1 (0.44) FNTAFNTBCYP11B1CYP11B2
SCHEMBL7258745 0.83 FNTA (0.57) FNTAFNTBCYP11B1CYP11B2
SCHEMBL7259737 0.82 FNTA (0.51) FNTAFNTBMAPKAPK2CYP11B1CYP11B2
SCHEMBL7255275 0.81 MAPKAPK2 (0.45) FNTAFNTBMAPKAPK2
SCHEMBL7255069 0.81 CYP11B1 (0.49) FNTAFNTBMAPKAPK2CYP11B1CYP11B2
SCHEMBL7255218 0.81 CYP11B1 (0.48) FNTAFNTBMAPKAPK2CYP11B1CYP11B2

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