SCHEMBL5059274

SCHEMBL5059274

CCc1c(C)[nH]n(-c2ccc(F)cc2)c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.48
RAB9A P51151 1/20 0.48
KAT8 Q9H7Z6 2/20 0.47
MAPT P10636 4/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
ALOX15 P16050 2/20 0.46
POLB P06746 1/20 0.46
DUSP3 P51452 1/20 0.46
PTPN5 P54829 1/20 0.46
PTPN11 Q06124 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
PARP14 Q460N5 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 1/20 0.44
ALKBH3 Q96Q83 2/20 0.43

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
SCHEMBL23402139 0.87 SMN1; SMN2 (0.64) GAASMN1; SMN2L3MBTL1RAB9AKAT8
SCHEMBL23401905 0.75 GAA (0.51) GAASMN1; SMN2L3MBTL1RAB9AMAPT
SCHEMBL23400874 0.73 SMN1; SMN2 (0.68) GAASMN1; SMN2L3MBTL1RAB9AKAT8
SCHEMBL23402829 0.72 SMN1; SMN2 (0.51) GAASMN1; SMN2L3MBTL1RAB9AKAT8
SCHEMBL23400671 0.71 ALDH1A1 (0.50) GAAL3MBTL1KAT8MAPTALDH1A1
SCHEMBL23399905 0.70 SMN1; SMN2 (0.49) GAASMN1; SMN2L3MBTL1RAB9AKAT8
SCHEMBL23399289 0.70 SMN1; SMN2 (0.59) GAASMN1; SMN2L3MBTL1RAB9AKAT8
SCHEMBL23401829 0.70 GAA (0.73) GAASMN1; SMN2L3MBTL1RAB9AKAT8
SCHEMBL28299107 0.69 GAA (0.58) GAASMN1; SMN2L3MBTL1RAB9AKAT8
SCHEMBL23401447 0.69 SMN1; SMN2 (0.48) GAASMN1; SMN2L3MBTL1RAB9AKAT8

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-1924562-A2 PYRAZOLONE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
WO-2007025880-A2 PYRAZOLONE DERIVATIVES AS 11-BETA HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed