SCHEMBL7259778

SCHEMBL7259778

N#Cc1ccc(Cn2cncc2CNc2ccc(-c3ccc(C(=O)O)o3)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FNTA P49354 10/20 0.59
FNTB P49356 10/20 0.59
PGGT1B P53609 3/20 0.59
CYP11B1 P15538 5/20 0.52
CYP11B2 P19099 5/20 0.52

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
SCHEMBL7259741 0.91 FNTA (0.61) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7255082 0.85 FNTA (0.49) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7255190 0.83 FNTA (0.49) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7259787 0.83 FNTA (0.72) FNTAFNTBPGGT1B
SCHEMBL7255179 0.82 FNTA (0.57) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7461591 0.81 FNTA (0.68) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7255031 0.80 FNTA (0.65) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7255389 0.80 FNTA (0.48) FNTAFNTBPGGT1BCYP11B1CYP11B2
Hydrochloric Acid SCHEMBL7455926 0.80 FNTA (0.67) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7260729 0.78 FNTA (0.46) FNTAFNTBPGGT1BCYP11B1CYP11B2

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