SCHEMBL6233779

SCHEMBL6233779

COc1cc(OCc2ccccc2)cc(OC)c1CNCCc1ncc(C)s1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 7/20 0.49
BCHE P06276 10/20 0.48
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL6233515 0.90 BCHE (0.41) CD274BCHEKMT2AMEN1SMN1; SMN2
SCHEMBL6230537 0.88 BCHE (0.52) CD274BCHEKMT2AMEN1SMN1; SMN2
SCHEMBL6233378 0.86 CD274 (0.43) CD274KMT2AMEN1KDM4EALDH1A1
SCHEMBL6231278 0.85 PTPRZ1 (0.41) CD274BCHEKMT2AMEN1
SCHEMBL6235980 0.84 SMN1; SMN2 (0.59) BCHEKMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL6239778 0.83 BCHE (0.65) BCHEKMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL6240567 0.82 BCHE (0.64) BCHEKMT2AMEN1MAPK1
SCHEMBL6236777 0.82 SMN1; SMN2 (0.46) CD274KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL6236432 0.79 BCHE (0.46) BCHEKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL6233816 0.79 SLC2A1 (0.51) CD274BCHEKMT2AMEN1SMN1; SMN2

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