SCHEMBL9612377

SCHEMBL9612377

CN(N)C(=O)CONC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.39
CA1 P00915 2/20 0.36
CA7 P43166 2/20 0.36
CA12 O43570 2/20 0.36
CA14 Q9ULX7 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
CA2 P00918 2/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
AKT1 P31749 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 3/20 0.32
CYP2D6 P10635 1/20 0.31

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
SCHEMBL12155186 0.77 APLNR (0.43) APLNRCA1CA7CA12CA14
SCHEMBL14077932 0.77 MAOA (0.45) APLNRCA1CA7CA12CA14
SCHEMBL307685 0.77 APLNR (0.43) APLNRCA1CA7CA12CA14
SCHEMBL9108340 0.77 CA1 (0.42) APLNRCA1CA7CA12CA14
SCHEMBL3484787 0.76 CA12 (0.35) APLNRCA1CA7CA12CA14
SCHEMBL24506767 0.76 APLNR (0.42) APLNRCA1CA7CA12CA14
SCHEMBL22030517 0.76 CA12 (0.46) APLNRCA1CA7CA12CA14
SCHEMBL16789211 0.76 APLNR (0.42) APLNRCA1CA7CA12CA14
SCHEMBL857233 0.76 APLNR (0.42) APLNRCA1CA7CA12CA14
SCHEMBL16747755 0.74 APLNR (0.41) APLNRCA1CA7CA12CA14

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
EP-2457920-A1 Oligosaccharides comprising an aminooxy group and conjugates thereof Genzyme Corporation (US) 2012-05-30 EP disclosed