SCHEMBL6602181

SCHEMBL6602181

CC(C)C(Cc1cncn1Cc1ccc(C#N)cc1)C(=O)Nc1ccc2sc(C(=O)NCCc3ccccn3)cc2c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FNTA P49354 9/20 0.41
FNTB P49356 9/20 0.41
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
STAT6 P42226 1/20 0.36
PGGT1B P53609 3/20 0.36
EGLN1 Q9GZT9 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.35

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
SCHEMBL6755034 0.87 FNTA (0.41) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL6756401 0.86 FNTA (0.40) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL6755039 0.86 FNTA (0.54) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL6602017 0.86 FNTA (0.45) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL6757415 0.84 FNTA (0.42) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL6601133 0.83 FNTA (0.41) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL6602185 0.82 CYP11B1 (0.38) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL6601473 0.82 DRD2 (0.40) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL6755031 0.80 FNTA (0.40) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL6756398 0.79 FNTA (0.41) FNTAFNTBCYP11B1CYP11B2PGGT1B

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
EP-1395581-A2 NOVEL BENZOTHIENYL OR INDOLE DERIVATIVES, PREPARATION AND USE THEREOF AS INHIBITORS OF PRENYL TRANSFERASE PROTEINS PIERRE FABRE MEDICAMENT (FR) 2004-03-10 EP claimed
WO-2002098852-A2 NOVEL BENZOTHIENYL OR INDOLE DERIVATIVES, AND USE THEREOF AS INHIBITORS OF PRENYL TRANSFERASE PROTEINS PIERRE FABRE MEDICAMENT (FR) 2002-12-12 WO claimed