SCHEMBL6233373

SCHEMBL6233373

COc1cc(OCc2c(F)cccc2F)cc(OC)c1CNC(C)c1ncc(C)s1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 12/20 0.42
CTSA P10619 7/20 0.42
PDCD1 Q15116 1/20 0.41
GUCY1B2 O75343 1/20 0.41
GUCY1A2 P33402 1/20 0.41
GUCY1A1 Q02108 1/20 0.41
GUCY1B1 Q02153 1/20 0.41

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
SCHEMBL6236773 0.93 CTSA (0.41) CD274CTSAPDCD1
SCHEMBL6257115 0.91 CTSA (0.39) CD274CTSAPDCD1
SCHEMBL6257119 0.91 CTSA (0.39) CD274CTSAPDCD1
SCHEMBL6233511 0.86 CTSA (0.42) CD274CTSAPDCD1
SCHEMBL6233776 0.86 CD274 (0.45) CD274PDCD1
SCHEMBL6236884 0.84 SMN1; SMN2 (0.46) CTSAGUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL6235441 0.84 GPBAR1 (0.40) CD274CTSA
SCHEMBL6252802 0.84 GPBAR1 (0.40) CD274CTSA
SCHEMBL6235514 0.83 CD274 (0.40) CD274CTSAPDCD1GUCY1B2GUCY1A2
SCHEMBL6232098 0.80 CD274 (0.40) CD274CTSAPDCD1GUCY1B2GUCY1A2

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