SCHEMBL13616248

SCHEMBL13616248

O=C(OC1CCCCC1)c1csc(C2CCNCC2)n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLAT P00750 2/20 0.40
AOC3 Q16853 1/20 0.39
HPGDS O60760 1/20 0.39
MMP9 P14780 2/20 0.39
MMP12 P39900 2/20 0.39
MMP1 P03956 1/20 0.39
BAZ2A Q9UIF9 1/20 0.39
MMP2 P08253 1/20 0.39
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
MAP4K3 Q8IVH8 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
Hydrochloric Acid SCHEMBL1120118 0.99 PLAT (0.39) PLATAOC3HPGDSMMP9MMP12
SCHEMBL12074811 0.82 PIM1 (0.39) MMP9MMP12MMP1MMP2MEN1
SCHEMBL1884435 0.81 FAAH (0.38) PIM1PIM3PIM2
SCHEMBL14379269 0.81 PLAT (0.45) PLATAOC3HPGDSBAZ2AGSK3B
SCHEMBL31705780 0.81 PLAT (0.45) PLATAOC3HPGDSBAZ2AGSK3B
SCHEMBL1228518 0.78 BAZ2A (0.52) PLATAOC3BAZ2AMEN1KMT2A
SCHEMBL491211 0.78 HPGDS (0.46) PLATAOC3HPGDSBAZ2AGSK3B
Bromide SCHEMBL5061856 0.77 BAZ2A (0.51) PLATAOC3BAZ2AMEN1KMT2A
Hydrochloric Acid SCHEMBL1119928 0.77 RAB9A (0.53) PLATAOC3BAZ2AMEN1KMT2A
SCHEMBL13422228 0.77 TYR (0.51) AOC3GSK3BDYRK1AMEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009132785-A1 THIAZOL-4-CARBOXYLIC ACID ESTERS AND THIOESTERS AS PLANT PROTECTION AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT 2009-11-05 WO disclosed