SCHEMBL6236017

SCHEMBL6236017

COc1cc(OCc2c(F)cccc2Cl)cc(OC)c1CNCc1cccs1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
CYP1A2 P05177 4/20 0.44
CYP2D6 P10635 4/20 0.44
CYP2C19 P33261 4/20 0.44
CYP3A4 P08684 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
TP53 P04637 1/20 0.42
CYP2C9 P11712 2/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
MAPT P10636 1/20 0.40

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 0.84 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1LMNAHTTKMT2A
SCHEMBL6234217 0.83 SMN1; SMN2 (0.49) SMN1; SMN2L3MBTL1LMNAHTTKMT2A
SCHEMBL6233547 0.79 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1POLBLMNAHTT
SCHEMBL6254258 0.79 SMN1; SMN2 (0.45) SMN1; SMN2CYP1A2CYP2D6CYP2C19CYP3A4
SCHEMBL6260267 0.77 SMN1; SMN2 (0.44) SMN1; SMN2CYP2C19CYP3A4L3MBTL1CYP2C9
SCHEMBL6236014 0.77 GNRHR (0.44) SMN1; SMN2POLBLMNAKMT2AMEN1
SCHEMBL12642510 0.76 KMT2A (0.48) SMN1; SMN2TDP1LMNAKMT2AMEN1
SCHEMBL6236777 0.75 SMN1; SMN2 (0.46) SMN1; SMN2TDP1LMNAKMT2AMEN1
SCHEMBL6238955 0.74 SMN1; SMN2 (0.47) SMN1; SMN2CYP2C19CYP3A4TDP1CYP2C9
SCHEMBL6233698 0.74 SMN1; SMN2 (0.42) SMN1; SMN2CYP1A2CYP2D6CYP2C19CYP3A4

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