SCHEMBL7258702

SCHEMBL7258702

CC(C)CC(NC(=O)c1ccc(-c2ccc(N(Cc3cncn3Cc3ccc(C#N)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)cc2)o1)C(=O)O.CCN(Cc1cncn1Cc1ccc(C#N)cc1)c1ccc(-c2ccc(C(=O)NC(CCSC)C(=O)OC)o2)cc1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
FNTA P49354 16/20 0.49
FNTB P49356 16/20 0.49

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 0.92 FNTA (0.57) FNTAFNTB
SCHEMBL7255071 0.87 FNTA (0.48) FNTAFNTB
SCHEMBL7260733 0.85 FNTA (0.62) FNTAFNTB
SCHEMBL7260673 0.85 FNTA (0.49) FNTAFNTB
SCHEMBL7260677 0.84 FNTA (0.47) FNTAFNTB
SCHEMBL7254914 0.81 FNTA (0.62) FNTAFNTB
SCHEMBL7260742 0.80 FNTA (0.66) FNTAFNTB
SCHEMBL7258763 0.80 FNTA (0.43) FNTAFNTB
SCHEMBL7255266 0.80 CYP11B1 (0.44) FNTAFNTB
SCHEMBL7256056 0.80 FNTA (0.63) FNTAFNTB

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 claimed