SCHEMBL6604877

SCHEMBL6604877

COc1cccc(S(=O)(=O)N(Cc2cncn2Cc2ccc(C#N)cc2)c2ccc3sc(C(=O)NCCc4ccccn4)cc3c2)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.39
FNTA P49354 5/20 0.39
FNTB P49356 5/20 0.39
PGGT1B P53609 3/20 0.39
NPC1 O15118 1/20 0.38
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
SLC12A2 P55011 1/20 0.36
SLC12A5 Q9H2X9 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL6756357 0.91 FNTA (0.39) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL6601479 0.88 CLK1 (0.40) CLK1FNTAFNTBPGGT1BCYP11B1
SCHEMBL6758336 0.88 DRD4 (0.41) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL6759286 0.87 CYP11B1 (0.41) CLK1FNTAFNTBPGGT1BCYP11B1
SCHEMBL6757432 0.87 CXCR3 (0.41) FNTAFNTBPGGT1B
SCHEMBL6605046 0.85 CYP11B1 (0.42) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL6756422 0.85 FNTA (0.41) CLK1FNTAFNTBPGGT1BCYP11B1
SCHEMBL6602531 0.84 FNTA (0.41) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL6755031 0.83 FNTA (0.40) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL6756429 0.83 FNTA (0.41) FNTAFNTBPGGT1BRAB9A

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