SCHEMBL6232179

SCHEMBL6232179

COc1cc(OCc2c(F)cccc2Cl)ccc1CNCc1ccsc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
APLNR P35414 1/20 0.42
LMNA P02545 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 1/20 0.40
HTT P42858 2/20 0.39
AR P10275 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.39

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
SCHEMBL6234217 0.89 SMN1; SMN2 (0.49) SMN1; SMN2LMNAKMT2AMEN1GAA
SCHEMBL6233698 0.82 SMN1; SMN2 (0.42) SMN1; SMN2APLNRLMNAKMT2AMEN1
SCHEMBL6252823 0.79 KMT2A (0.47) SMN1; SMN2APLNRLMNAKMT2AMEN1
SCHEMBL6232175 0.79 AR (0.38) SMN1; SMN2LMNAKMT2AMEN1GAA
SCHEMBL6230449 0.78 SMN1; SMN2 (0.42) SMN1; SMN2APLNRLMNAKMT2AMEN1
SCHEMBL6235445 0.76 SMN1; SMN2 (0.44) SMN1; SMN2APLNRLMNAKMT2AMEN1
SCHEMBL6687667 0.74 MAOB (0.59) LMNA
SCHEMBL6687664 0.74 MAOB (0.59) LMNA
SCHEMBL6236017 0.73 SMN1; SMN2 (0.46) SMN1; SMN2LMNAKMT2AMEN1GAA
SCHEMBL6235441 0.72 GPBAR1 (0.40) SMN1; SMN2LMNAKMT2AMEN1GAA

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