SCHEMBL6232102

SCHEMBL6232102

COc1cc(OCc2c(F)cccc2Cl)cc(OC)c1CNCC(c1ccccc1)c1ncc(C)s1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSA P10619 10/20 0.44
CD274 Q9NZQ7 10/20 0.44

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
SCHEMBL6233074 0.88 CD274 (0.50) CTSACD274
SCHEMBL6236773 0.84 CTSA (0.41) CTSACD274
SCHEMBL6232101 0.83 CD274 (0.40) CTSACD274
SCHEMBL6232098 0.83 CD274 (0.40) CTSACD274
SCHEMBL6236047 0.81 CTSA (0.45) CTSACD274
SCHEMBL6235514 0.81 CD274 (0.40) CTSACD274
SCHEMBL6236777 0.80 SMN1; SMN2 (0.46) CD274
SCHEMBL6235523 0.78 SMN1; SMN2 (0.43) CD274
SCHEMBL6233373 0.77 CD274 (0.42) CTSACD274
SCHEMBL6235441 0.76 GPBAR1 (0.40) CTSACD274

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