SCHEMBL7258738

SCHEMBL7258738

N#Cc1ccc(Cn2cncc2CNc2ccccc2-c2ccc(C(=O)N3CCSCC3)o2)cc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FNTA P49354 14/20 0.49
FNTB P49356 14/20 0.49
PGGT1B P53609 10/20 0.49
KCNH2 Q12809 2/20 0.45
CYP11B1 P15538 2/20 0.45
CYP11B2 P19099 2/20 0.45

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
SCHEMBL7258735 0.88 FNTA (0.52) FNTAFNTBPGGT1BKCNH2
SCHEMBL7255082 0.86 FNTA (0.49) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7255190 0.83 FNTA (0.49) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7258737 0.81 CYP11B1 (0.42) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL6754966 0.79 FNTA (0.48) FNTAFNTBPGGT1BKCNH2
SCHEMBL7255091 0.76 FNTA (0.68) FNTAFNTBPGGT1B
SCHEMBL7255103 0.75 FNTA (0.65) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL6755072 0.75 FNTA (0.46) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL7259745 0.74 FNTA (0.40) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL6756369 0.73 FNTA (0.49) FNTAFNTBPGGT1BKCNH2

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