SCHEMBL370828

SCHEMBL370828

CCOC(=O)C(C#N)C(c1ccc(C)cc1)c1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
MAPK1 P28482 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BCL2 P10415 1/20 0.39
MAPT P10636 4/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 2/20 0.39
S1PR4 O95977 1/20 0.39
S1PR1 P21453 1/20 0.39
ALDH1A1 P00352 5/20 0.39
HPGD P15428 1/20 0.39
GFER P55789 1/20 0.39
POLB P06746 1/20 0.38
TP53 P04637 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL1978550 0.89 GAA (0.42) GAAMAPK1SMN1; SMN2L3MBTL1MAPT
SCHEMBL1395413 0.89 MAPK1 (0.43) GAAMAPK1SMN1; SMN2L3MBTL1BCL2
SCHEMBL10977335 0.87 SMN1; SMN2 (0.51) GAAMAPK1SMN1; SMN2L3MBTL1MAPT
SCHEMBL370827 0.87 GAA (0.43) GAAMAPK1SMN1; SMN2L3MBTL1BCL2
SCHEMBL13214510 0.84 SLC6A3 (0.44) GAAMAPK1SMN1; SMN2L3MBTL1BCL2
SCHEMBL1390375 0.83 SMN1; SMN2 (0.42) GAAMAPK1SMN1; SMN2L3MBTL1BCL2
SCHEMBL10363351 0.82 GAA (0.45) GAAMAPK1SMN1; SMN2L3MBTL1MAPT
SCHEMBL490341 0.82 SMN1; SMN2 (0.53) GAAMAPK1SMN1; SMN2L3MBTL1MEN1
SCHEMBL3013426 0.81 S1PR3 (0.40) GAAMAPK1SMN1; SMN2L3MBTL1BCL2
SCHEMBL363529 0.79 S1PR3 (0.39) GAAMAPK1SMN1; SMN2L3MBTL1BCL2

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-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed