SCHEMBL6233698

SCHEMBL6233698

COc1cc(OCc2c(F)cccc2Cl)ccc1CNCc1sccc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
APLNR P35414 1/20 0.41
LMNA P02545 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 1/20 0.40
AR P10275 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
INPPL1 O15357 1/20 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
SCHEMBL6236466 0.90 SMN1; SMN2 (0.44) SMN1; SMN2LMNAKMT2AMEN1GAA
SCHEMBL12642510 0.85 KMT2A (0.48) SMN1; SMN2LMNAKMT2AMEN1GAA
SCHEMBL6232179 0.82 SMN1; SMN2 (0.47) SMN1; SMN2APLNRLMNAKMT2AMEN1
SCHEMBL6230449 0.79 SMN1; SMN2 (0.42) SMN1; SMN2APLNRLMNAKMT2AMEN1
SCHEMBL6252823 0.79 KMT2A (0.47) SMN1; SMN2APLNRLMNAKMT2AMEN1
SCHEMBL6235445 0.77 SMN1; SMN2 (0.44) SMN1; SMN2APLNRLMNAKMT2AMEN1
SCHEMBL6236017 0.74 SMN1; SMN2 (0.46) SMN1; SMN2LMNAKMT2AMEN1GAA
SCHEMBL6252802 0.73 GPBAR1 (0.40) SMN1; SMN2LMNAKMT2AMEN1GAA
SCHEMBL6235441 0.73 GPBAR1 (0.40) SMN1; SMN2LMNAKMT2AMEN1GAA
SCHEMBL6687664 0.73 MAOB (0.59) LMNACD274

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