SCHEMBL2836385

SCHEMBL2836385

COc1cc(C2=N[C@H](C(=O)O)CC2)ccc1OCc1ccccc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.51
SCN3A Q9NY46 1/20 0.51
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
PIK3CG P48736 1/20 0.47
NOX1 Q9Y5S8 1/20 0.44
MAPT P10636 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
TRPC6 Q9Y210 2/20 0.43
PRKCZ Q05513 1/20 0.42
PARP15 Q460N3 1/20 0.42
PARP10 Q53GL7 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL1104548 0.91 KCNH2 (0.50) KCNH2SCN3AKMT2AMEN1HPGD
SCHEMBL2831532 0.85 KCNH2 (0.52) KCNH2
SCHEMBL2712980 0.82 MAOB (0.49) KCNH2SCN3ASMN1; SMN2PARP15PARP10
SCHEMBL22534101 0.82 MAOB (0.49) KCNH2SCN3ASMN1; SMN2PARP15PARP10
SCHEMBL13311482 0.81 SCN3A (0.43) KCNH2SCN3AKMT2AMEN1HPGD
SCHEMBL12973320 0.79 KCNH2 (0.51) KCNH2SCN3AALDH1A1
SCHEMBL2832345 0.76 MAOB (0.50) KCNH2SCN3APARP15PARP10
SCHEMBL22546709 0.76 MAOB (0.49) KCNH2SCN3AKMT2AMEN1SMN1; SMN2
SCHEMBL310302 0.76 MAOB (0.49) KCNH2SCN3AKMT2AMEN1SMN1; SMN2
SCHEMBL29385120 0.76 MAOB (0.49) KCNH2SCN3AKMT2AMEN1SMN1; SMN2

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
US-7803833-B2 Compounds GLAXO GROUP LIMITED (GB) 2010-09-28 US disclosed