SCHEMBL6233547

SCHEMBL6233547

COc1cc(OCc2c(F)cccc2Cl)cc(OC)c1CNCc1cc(C)on1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CD274 Q9NZQ7 5/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.38
DHODH Q02127 1/20 0.37
PDCD1 Q15116 2/20 0.37

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
SCHEMBL6230449 0.90 SMN1; SMN2 (0.42) SMN1; SMN2HTTL3MBTL1LMNAKMT2A
SCHEMBL6236017 0.79 SMN1; SMN2 (0.46) SMN1; SMN2HTTL3MBTL1LMNAKMT2A
SCHEMBL6260267 0.79 SMN1; SMN2 (0.44) SMN1; SMN2HTTL3MBTL1LMNAKMT2A
SCHEMBL6236466 0.78 SMN1; SMN2 (0.44) SMN1; SMN2HTTL3MBTL1LMNAKMT2A
SCHEMBL6234217 0.77 SMN1; SMN2 (0.49) SMN1; SMN2HTTL3MBTL1LMNAKMT2A
SCHEMBL6254258 0.77 SMN1; SMN2 (0.45) SMN1; SMN2HTTLMNAKMT2AMEN1
SCHEMBL6236777 0.75 SMN1; SMN2 (0.46) SMN1; SMN2LMNAKMT2AMEN1KDM4E
SCHEMBL6238955 0.72 SMN1; SMN2 (0.47) SMN1; SMN2LMNAKMT2AMEN1KDM4E
SCHEMBL6235523 0.72 SMN1; SMN2 (0.43) SMN1; SMN2LMNAKMT2AMEN1CD274
SCHEMBL6232102 0.72 CTSA (0.44) CD274

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