SCHEMBL3403329

SCHEMBL3403329

CCC[C](C)Cc1ncc(CCc2csc(NC(C)=O)n2)s1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 14/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 1/20 0.46
MAOB P27338 3/20 0.45
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CASP3 P42574 1/20 0.40
HTT P42858 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40

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
SCHEMBL3403325 0.83 AOC3 (0.49) AOC3SMN1; SMN2KMT2AMAOBNPC1
SCHEMBL974513 0.81 AOC3 (0.52) AOC3SMN1; SMN2KMT2AMAOBNPC1
SCHEMBL9570944 0.75 SMN1; SMN2 (0.69) AOC3SMN1; SMN2KMT2AMAOBNPC1
SCHEMBL3401963 0.74 AOC3 (0.50) AOC3SMN1; SMN2KMT2AMAOBNPC1
SCHEMBL4889944 0.74 AOC3 (0.48) AOC3SMN1; SMN2KMT2AMAOBNPC1
SCHEMBL972647 0.73 AOC3 (0.44) AOC3SMN1; SMN2KMT2AMAOBNPC1
SCHEMBL972980 0.71 AOC3 (0.57) AOC3SMN1; SMN2KMT2AMAOBNPC1
SCHEMBL4886677 0.71 AOC3 (0.57) AOC3SMN1; SMN2KMT2AMAOBNPC1
SCHEMBL5179460 0.71 AOC3 (0.57) AOC3SMN1; SMN2KMT2AMAOBNPC1
SCHEMBL4880248 0.71 AOC3 (0.57) AOC3SMN1; SMN2KMT2AMAOBNPC1

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-2252604-A1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-Tech Ueno, Ltd. (JP) 2010-11-24 EP disclosed
WO-2009096609-A1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2009-08-06 WO disclosed