SCHEMBL3395069

SCHEMBL3395069

O=C1NC(C2CC2)=C(C(=O)OCC2CCCCC2)C(c2cccc([N+](=O)[O-])c2)N1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
GAA P10253 5/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
PDE1C Q14123 2/20 0.54
HTT P42858 3/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
PKM P14618 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49
KDM4E B2RXH2 1/20 0.47
MAPT P10636 3/20 0.47
POLB P06746 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL3396126 0.89 PDE1C (0.69) ALDH1A1GAASMN1; SMN2L3MBTL1PDE1C
SCHEMBL3392278 0.89 MEN1 (0.57) ALDH1A1GAASMN1; SMN2L3MBTL1PDE1C
SCHEMBL3395226 0.86 ALDH1A1 (0.67) ALDH1A1GAASMN1; SMN2L3MBTL1PDE1C
SCHEMBL3398285 0.85 PDE1C (0.59) ALDH1A1GAASMN1; SMN2L3MBTL1PDE1C
SCHEMBL3398282 0.85 PDE1C (0.58) ALDH1A1GAASMN1; SMN2L3MBTL1PDE1C
SCHEMBL13426005 0.82 ALDH1A1 (0.53) ALDH1A1GAASMN1; SMN2L3MBTL1PDE1C
SCHEMBL3393994 0.78 MEN1 (0.61) ALDH1A1GAAPDE1CMEN1KMT2A
SCHEMBL3394058 0.76 ALDH1A1 (0.71) ALDH1A1GAASMN1; SMN2L3MBTL1HTT
SCHEMBL19752716 0.76 ALDH1A1 (0.71) ALDH1A1GAASMN1; SMN2L3MBTL1HTT
SCHEMBL29531249 0.76 ALDH1A1 (0.71) ALDH1A1GAASMN1; SMN2L3MBTL1HTT

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
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed