SCHEMBL6601124

SCHEMBL6601124

N#Cc1ccc(Cc2ncc(CNc3ccc4sc(C(=O)N5CCSCC5)cc4c3)[nH]2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
HDAC1 Q13547 2/20 0.35
DPP4 P27487 8/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
SYK P43405 2/20 0.34
BRS3 P32247 1/20 0.34
F2 P00734 1/20 0.33
TPSAB1 Q15661 1/20 0.33
TPSD1 Q9BZJ3 1/20 0.33
TPSG1 Q9NRR2 1/20 0.33
SAE1 Q9UBE0 1/20 0.33
UBA2 Q9UBT2 1/20 0.33
HTR1A P08908 1/20 0.33
DGAT2 Q96PD7 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
SCHEMBL6602264 0.84 CCNC (0.41) CCNCCDK8DPP4DPP8DPP9
SCHEMBL7260652 0.80 UTS2R (0.39) CCNCCDK8DPP4DPP8DPP9
SCHEMBL6756369 0.79 FNTA (0.49)
SCHEMBL7259726 0.77 MKNK1 (0.40) HDAC1BRS3DGAT2
SCHEMBL6627067 0.77 CCNT1 (0.36)
SCHEMBL6983035 0.75 MAPT (0.43)
SCHEMBL7259705 0.71 NPC1 (0.41) BRS3DGAT2
SCHEMBL6757356 0.71 FNTA (0.49)
SCHEMBL7461594 0.69 BRS3 (0.48) BRS3SAE1UBA2
Hydrochloric Acid SCHEMBL8004159 0.68 BRS3 (0.48) BRS3SAE1UBA2

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