SCHEMBL6239908

SCHEMBL6239908

COc1cc(CC=O)ccc1OCc1c(F)cccc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.53
KMT2A Q03164 5/20 0.52
MEN1 O00255 3/20 0.52
GAA P10253 2/20 0.48
PIK3CG P48736 1/20 0.47
ALDH1A1 P00352 5/20 0.45
RAB9A P51151 4/20 0.45
HTT P42858 3/20 0.45
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
PTGER4 P35408 1/20 0.44
PTGER2 P43116 1/20 0.44
NPC1 O15118 3/20 0.44
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
HSP90AA1 P07900 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 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
SCHEMBL3458848 0.83 SMN1; SMN2 (0.52) SMN1; SMN2KMT2AMEN1GAAPIK3CG
SCHEMBL6234745 0.82 ALDH1A1 (0.62) SMN1; SMN2KMT2AMEN1ALDH1A1RAB9A
SCHEMBL3950505 0.80 PTGER4 (0.62) SMN1; SMN2KMT2AMEN1ALDH1A1RAB9A
SCHEMBL12493966 0.80 SLC22A12 (0.57) SMN1; SMN2KMT2AMEN1ALDH1A1RAB9A
SCHEMBL8807187 0.77 GAA (0.55) SMN1; SMN2KMT2AMEN1GAAPIK3CG
SCHEMBL30644304 0.77 ALDH1A1 (0.69) SMN1; SMN2KMT2AMEN1GAAALDH1A1
SCHEMBL557409 0.77 ALDH1A1 (0.69) SMN1; SMN2KMT2AMEN1GAAALDH1A1
SCHEMBL6687908 0.77 KMT2A (0.56) SMN1; SMN2KMT2AMEN1GAAALDH1A1
SCHEMBL6687911 0.77 KMT2A (0.56) SMN1; SMN2KMT2AMEN1GAAALDH1A1
SCHEMBL20615143 0.76 CALM1 (0.58) SMN1; SMN2KMT2AMEN1GAAALDH1A1

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
WO-2005000309-A2 CHEMICAL COMPOUNDS IONIX PHARMACEUTICALS LIMITED (GB) 2005-01-06 WO disclosed