SCHEMBL6602017

SCHEMBL6602017

CC(C)C(Cc1cncn1Cc1ccc(C#N)cc1)C(=O)Nc1ccc2sc(C(=O)NCc3cccnc3)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FNTA P49354 9/20 0.45
FNTB P49356 9/20 0.45
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
LMNA P02545 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HTT P42858 1/20 0.39
NAMPT P43490 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
BLM P54132 1/20 0.38
PGGT1B P53609 2/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SCN9A Q15858 1/20 0.37

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
SCHEMBL6757378 0.90 FNTA (0.44) FNTAFNTBCYP11B1CYP11B2LMNA
SCHEMBL6757417 0.89 FNTA (0.43) FNTAFNTBCYP11B1CYP11B2LMNA
SCHEMBL6755064 0.87 FNTA (0.46) FNTAFNTBCYP11B1CYP11B2LMNA
SCHEMBL6758247 0.86 FNTA (0.59) FNTAFNTBCYP11B1CYP11B2NAMPT
SCHEMBL6602181 0.86 FNTA (0.41) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL6756373 0.83 FNTA (0.46) FNTAFNTBCYP11B1CYP11B2NAMPT
SCHEMBL6600844 0.82 FNTA (0.45) FNTAFNTBNAMPTPGGT1BSCN9A
SCHEMBL6606446 0.82 FNTA (0.45) FNTAFNTBNAMPTPGGT1BSCN9A
SCHEMBL6602018 0.81 FNTA (0.41) FNTAFNTBCYP11B1CYP11B2LMNA
SCHEMBL6755058 0.79 NAMPT (0.45) FNTAFNTBCYP11B1CYP11B2NAMPT

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