SCHEMBL1815681

SCHEMBL1815681

COC(C(N)=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 3/20 0.43
GAA P10253 3/20 0.43
CYP3A4 P08684 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
PKM P14618 1/20 0.42
CYP2C19 P33261 1/20 0.42
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
MMP12 P39900 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ACP3 P15309 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL11903287 0.89 KMT2A (0.57) SMN1; SMN2KMT2AALDH1A1GAACYP3A4
SCHEMBL8476179 0.89 KMT2A (0.57) SMN1; SMN2KMT2AALDH1A1GAACYP3A4
SCHEMBL1068632 0.89 KMT2A (0.57) SMN1; SMN2KMT2AALDH1A1GAACYP3A4
SCHEMBL5036096 0.85 PTGS2 (0.58) PTGS2SMN1; SMN2ALDH1A1GAACYP3A4
SCHEMBL5017613 0.84 SRR (0.47) PTGS2GAACYP1A2CYP2C9PKM
SCHEMBL11126462 0.83 ALDH1A1 (0.54) PTGS2SMN1; SMN2ALDH1A1GAACYP3A4
SCHEMBL9999768 0.81 ALDH1A1 (0.51) PTGS2SMN1; SMN2KMT2AALDH1A1GAA
SCHEMBL5009753 0.80 KMT2A (0.49) SMN1; SMN2KMT2AALDH1A1GAAL3MBTL1
SCHEMBL4280687 0.79 ESR1 (0.42) SMN1; SMN2KMT2ACYP3A4CYP1A2CYP2C9
SCHEMBL19734679 0.78 AOC3 (0.42) SMN1; SMN2KMT2AALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2320886-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITION FOR THE TREATMENT OF COLLAPSING GLOMERULOPATHY AND OTHER GLOMERULAR DISEASE Genzyme Corporation (US) 2011-05-18 EP disclosed
WO-2010014554-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITION FOR THE TREATMENT OF COLLAPSING GLOMERULOPATHY AND OTHER GLOMERULAR DISEASE GENZYME CORPORATION (US) 2010-02-04 WO disclosed