SCHEMBL6601133

SCHEMBL6601133

N#Cc1ccc(Cn2cncc2Cc2c(F)cccc2C(=O)Nc2ccc3sc(C(=O)NCCc4ccccn4)cc3c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FNTA P49354 9/20 0.41
FNTB P49356 9/20 0.41
PDPK1 O15530 1/20 0.37
PGGT1B P53609 3/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HDAC1 Q13547 1/20 0.35
GRK2 P25098 1/20 0.35
GRK5 P34947 1/20 0.35
ROCK1 Q13464 1/20 0.35
KCNH2 Q12809 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
SCHEMBL6601473 0.92 DRD2 (0.40) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL6606446 0.86 FNTA (0.45) FNTAFNTBPGGT1BHDAC1
SCHEMBL6755039 0.85 FNTA (0.54) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL6757415 0.83 FNTA (0.42) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL6602181 0.83 FNTA (0.41) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL6755034 0.81 FNTA (0.41) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL6756401 0.80 FNTA (0.40) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL6600844 0.80 FNTA (0.45) FNTAFNTBPGGT1BHDAC1
SCHEMBL6755031 0.79 FNTA (0.40) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL6601136 0.78 FNTA (0.41) 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 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