SCHEMBL16508155

SCHEMBL16508155

CCOCOc1c(OC)ccnc1C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
IKBKB O14920 4/20 0.39
BPTF Q12830 1/20 0.38
PARP10 Q53GL7 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
APAF1 O14727 1/20 0.36
NSD2 O96028 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
GSK3B P49841 1/20 0.35
IRAK4 Q9NWZ3 2/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL15580048 0.89 MAPK1 (0.36) MAPK1IKBKBBPTFL3MBTL1APAF1
SCHEMBL16508157 0.86 IKBKB (0.42) MAPK1IKBKBL3MBTL1APAF1NSD2
SCHEMBL21992059 0.86 PDE4A (0.35) MAPK1IKBKBBPTFL3MBTL1TSHR
SCHEMBL16573178 0.85 IKBKB (0.37) MAPK1IKBKBL3MBTL1APAF1NSD2
SCHEMBL21992070 0.85 IKBKB (0.37) MAPK1IKBKBPARP10IRAK4TSHR
SCHEMBL16508203 0.85 IKBKB (0.39) MAPK1IKBKBBPTFL3MBTL1APAF1
SCHEMBL16573139 0.84 IKBKB (0.36) MAPK1IKBKBL3MBTL1APAF1NSD2
SCHEMBL16508183 0.83 IKBKB (0.39) MAPK1IKBKBL3MBTL1APAF1NSD2
SCHEMBL16258541 0.83 IKBKB (0.36) MAPK1IKBKBL3MBTL1APAF1NSD2
SCHEMBL16573179 0.83 IKBKB (0.37) MAPK1IKBKBBPTFL3MBTL1APAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3106461-B1 DERIVATIVES OF UK-2A DOW AGROSCIENCES LLC (US) 2020-05-06 EP disclosed
EP-3106461-A1 DERIVATIVES OF UK-2A Dow AgroSciences LLC (US) 2016-12-21 EP disclosed
EP-2848616-A1 Derivatives of UK-2A Dow AgroSciences LLC (US) 2015-03-18 EP disclosed
EP-2527342-A2 Derivatives of UK-2A Dow AgroSciences LLC (US) 2012-11-28 EP disclosed