SCHEMBL6257115

SCHEMBL6257115

COc1cc(OCc2c(F)cc(F)cc2F)cc(OC)c1CN[C@@H](C)c1ncc(C)s1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSA P10619 15/20 0.39
CD274 Q9NZQ7 5/20 0.39
PDCD1 Q15116 1/20 0.36

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
SCHEMBL6257119 1.00 CTSA (0.39) CTSACD274PDCD1
SCHEMBL6233373 0.91 CD274 (0.42) CTSACD274PDCD1
SCHEMBL6233511 0.87 CTSA (0.42) CTSACD274PDCD1
SCHEMBL6236773 0.85 CTSA (0.41) CTSACD274PDCD1
SCHEMBL6233776 0.82 CD274 (0.45) CD274PDCD1
SCHEMBL6231277 0.78 PTPRZ1 (0.41) CTSACD274PDCD1
SCHEMBL6236884 0.75 SMN1; SMN2 (0.46) CTSA
SCHEMBL6235441 0.75 GPBAR1 (0.40) CTSACD274
SCHEMBL6252802 0.75 GPBAR1 (0.40) CTSACD274
SCHEMBL6235514 0.74 CD274 (0.40) CTSACD274PDCD1

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