SCHEMBL15920451

SCHEMBL15920451

NCC=COOCc1ccc(Oc2cnc(C(F)(F)F)nc2)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 2/20 0.33
HDAC1 Q13547 5/20 0.31
HDAC6 Q9UBN7 5/20 0.31
HDAC5 Q9UQL6 5/20 0.31
ROCK2 O75116 1/20 0.30
ROCK1 Q13464 1/20 0.30
CCR5 P51681 1/20 0.30

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
SCHEMBL9105782 0.75 PPARD (0.34) PLA2G7HDAC1HDAC6HDAC5ROCK2
SCHEMBL9105791 0.75 PPARD (0.37) PLA2G7HDAC1HDAC6HDAC5
SCHEMBL876409 0.75 TTR (0.40) PLA2G7ROCK2ROCK1
SCHEMBL15920581 0.73 CCR5 (0.36) CCR5
SCHEMBL9104846 0.73 S1PR1 (0.36) PLA2G7ROCK2ROCK1
SCHEMBL9892536 0.70 S1PR1 (0.34) PLA2G7ROCK2ROCK1
SCHEMBL15920575 0.68 SLC22A12 (0.39) PLA2G7
SCHEMBL876362 0.68 ALDH1A1 (0.41)
SCHEMBL9109526 0.68 AR (0.33)
SCHEMBL25000014 0.67 ALOX5AP (0.39)

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-2014114694-A1 2,3-DIHYDROIMIDAZOL[1,2-C]PYRIMIDIN-5(1H)-ONE BASED LIPOPROTEIN-ASSOCIATED PHOSPHOLIPASE A2 (LP-PLA2) INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-07-31 WO disclosed