SCHEMBL6232680

SCHEMBL6232680

COc1cc(OCc2ccccc2F)cc(OC)c1CNC(Cc1ccccc1)c1ncc(C)s1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 20/20 0.46
PDCD1 Q15116 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
SCHEMBL6232677 1.00 CD274 (0.46) CD274PDCD1
SCHEMBL6232098 0.88 CD274 (0.40) CD274PDCD1
SCHEMBL6232101 0.88 CD274 (0.40) CD274PDCD1
SCHEMBL6236045 0.84 CTSA (0.43) CD274PDCD1
SCHEMBL6236043 0.84 CTSA (0.43) CD274PDCD1
SCHEMBL6233074 0.81 CD274 (0.50) CD274
SCHEMBL6233776 0.78 CD274 (0.45) CD274PDCD1
SCHEMBL6233373 0.77 CD274 (0.42) CD274PDCD1
SCHEMBL6235514 0.76 CD274 (0.40) CD274PDCD1
SCHEMBL6238945 0.74 BCHE (0.49)

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