Sugi Predict

Sugi Predict / Compounds / SCHEMBL7258745

SCHEMBL7258745

SCHEMBL7258745

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

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 15/20 0.57
▸ FNTB P49356 15/20 0.57
▸ CYP11B1 P15538 2/20 0.41
▸ CYP11B2 P19099 2/20 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
SCHEMBL7258702 0.92 FNTA (0.49) FNTAFNTB
SCHEMBL7255071 0.91 FNTA (0.48) FNTAFNTB
SCHEMBL7260677 0.91 FNTA (0.47) FNTAFNTBCYP11B1CYP11B2
SCHEMBL7260673 0.89 FNTA (0.49) FNTAFNTB
SCHEMBL7255266 0.87 CYP11B1 (0.44) FNTAFNTBCYP11B1CYP11B2
SCHEMBL7256056 0.87 FNTA (0.63) FNTAFNTBCYP11B1CYP11B2
SCHEMBL7259762 0.86 FNTA (0.47) FNTAFNTBCYP11B1CYP11B2
SCHEMBL7260733 0.85 FNTA (0.62) FNTAFNTBCYP11B1CYP11B2
SCHEMBL7258763 0.85 FNTA (0.43) FNTAFNTBCYP11B1CYP11B2
SCHEMBL7258754 0.83 FNTA (0.48) FNTAFNTBCYP11B1CYP11B2

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