SCHEMBL6602264

SCHEMBL6602264

N#Cc1ccc(Cc2ncc(CNc3cccc4sc(C(=O)N5CCSCC5)cc34)[nH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNC P24863 4/20 0.41
CDK8 P49336 4/20 0.41
RIPK1 Q13546 2/20 0.40
BRS3 P32247 2/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
DPP4 P27487 5/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
CDK19 Q9BWU1 2/20 0.34
FASN P49327 2/20 0.33
USP1 O94782 1/20 0.33
WDR48 Q8TAF3 1/20 0.33
VNN1 O95497 1/20 0.33
MAP4K2 Q12851 1/20 0.32
HASPIN Q8TF76 1/20 0.32
HTR1A P08908 1/20 0.32

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
SCHEMBL6601124 0.84 CCNC (0.39) CCNCCDK8BRS3DPP4DPP8
SCHEMBL6754966 0.79 FNTA (0.48)
SCHEMBL7260652 0.74 UTS2R (0.39) CCNCCDK8BRS3DPP4DPP8
SCHEMBL7259726 0.73 MKNK1 (0.40) BRS3
SCHEMBL7260727 0.71 BRS3 (0.42) BRS3FASN
SCHEMBL6983035 0.70 MAPT (0.43) ALDH1A1
SCHEMBL7259705 0.66 NPC1 (0.41) BRS3ALDH1A1
SCHEMBL6760808 0.66 FNTA (0.44)
SCHEMBL6755028 0.65 FNTA (0.54)
SCHEMBL7461594 0.65 BRS3 (0.48) BRS3VNN1

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 disclosed
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 disclosed