SCHEMBL16573178

SCHEMBL16573178

COc1ccnc(C(N)=O)c1OCOCC(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
PTGER1 P34995 1/20 0.34
KDM4E B2RXH2 3/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
APAF1 O14727 1/20 0.34
NSD2 O96028 1/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HPGD P15428 2/20 0.33
HTT P42858 2/20 0.33
CYP3A4 P08684 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
GSK3B P49841 1/20 0.33
ADORA2A P29274 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL16508234 0.89 SMN1; SMN2 (0.37) IKBKBSMN1; SMN2KDM4ELMNACYP1A2
SCHEMBL16508155 0.85 MAPK1 (0.40) IKBKBSMN1; SMN2APAF1NSD2CASP3
SCHEMBL19604244 0.83 IKBKB (0.38) IKBKBSMN1; SMN2KDM4ELMNACYP1A2
SCHEMBL16508157 0.83 IKBKB (0.42) IKBKBAPAF1NSD2CASP3SENP8
SCHEMBL16573137 0.82 IKBKB (0.36) IKBKBSMN1; SMN2KDM4ELMNACYP1A2
SCHEMBL16573133 0.82 IKBKB (0.39) IKBKBSMN1; SMN2KDM4ELMNACYP1A2
SCHEMBL16573139 0.81 IKBKB (0.36) IKBKBSMN1; SMN2APAF1NSD2CASP3
SCHEMBL16258571 0.81 IKBKB (0.36) IKBKBSMN1; SMN2KDM4ELMNACYP1A2
SCHEMBL16508183 0.80 IKBKB (0.39) IKBKBSMN1; SMN2KDM4ELMNACYP1A2
SCHEMBL16573177 0.80 IKBKB (0.36) IKBKBSMN1; SMN2KDM4ELMNACYP1A2

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 3 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-2848616-B1 Derivatives of UK-2A DOW AGROSCIENCES LLC (US) 2016-11-23 EP disclosed
EP-2848616-A1 Derivatives of UK-2A Dow AgroSciences LLC (US) 2015-03-18 EP disclosed