SCHEMBL9550432

SCHEMBL9550432

N#CN1C(=O)c2ccc(Cl)cc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.47
USP8 P40818 2/20 0.42
USP7 Q93009 2/20 0.42
USP47 Q96K76 1/20 0.42
PPOX P50336 1/20 0.42
NPC1 O15118 1/20 0.40
ABCC9 O60706 1/20 0.39
GRM1 Q13255 1/20 0.37
GRM4 Q14833 1/20 0.37
HSP90AA1 P07900 1/20 0.37
APP P05067 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CES1 P23141 2/20 0.35
TGM2 P21980 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
SCHEMBL9550316 0.78 ESR1 (0.51) S100A4NPC1APPMEN1KMT2A
SCHEMBL1704408 0.78 S100A4 (0.52) S100A4PPOXNPC1HSP90AA1MEN1
SCHEMBL9550328 0.77 APP (0.46) USP8USP7NPC1APP
SCHEMBL9550347 0.77 AR (0.43) USP8USP7USP47GRM1GRM4
SCHEMBL28618112 0.75 S100A4 (0.54) S100A4PPOXNPC1HSP90AA1MEN1
SCHEMBL9550323 0.74 CA12 (0.43) MEN1KMT2A
SCHEMBL9143697 0.74 CA12 (0.43) MEN1KMT2A
SCHEMBL2239437 0.74 S100A4 (0.52) S100A4PPOXNPC1HSP90AA1MEN1
SCHEMBL9126362 0.74 S100A4 (0.52) S100A4PPOXNPC1GRM1GRM4
SCHEMBL1500415 0.74 ALDH1A1 (0.55) S100A4PPOXAPPMEN1KMT2A

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
US-5216173-A Curing agents for epoxy resins; polyimides HENKEL RESEARCH CORPORATION (US) 1993-06-01 US disclosed
EP-0484381-A1 N-CYANOIMIDES AND PROCESS FOR THEIR PREPARATION AND USES THEREOF HENKEL RESEARCH CORPORATION (US) 1992-05-13 EP disclosed
WO-1991001307-A2 N-CYANOIMIDES AND PROCESS FOR THEIR PREPARATION AND USES THEREOF HENKEL RESEARCH CORPORATION (US) 1991-02-07 WO disclosed