SCHEMBL6231277

SCHEMBL6231277

COc1cc(OCc2ccc(SC(F)(F)F)cc2)cc(OC)c1CNC(C)c1ncc(C)s1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPRZ1 P23471 1/20 0.41
CD274 Q9NZQ7 14/20 0.36
CTSA P10619 3/20 0.35
PDCD1 Q15116 1/20 0.35
PPARD Q03181 1/20 0.33
NTRK1 P04629 1/20 0.33
CSF1R P07333 1/20 0.33
NTRK2 Q16620 1/20 0.33

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
SCHEMBL6271280 0.90 PTPRZ1 (0.39) PTPRZ1CD274CTSAPDCD1PPARD
SCHEMBL6234945 0.90 PTPRZ1 (0.39) PTPRZ1CD274CTSAPDCD1PPARD
SCHEMBL6232104 0.90 PTPRZ1 (0.42) PTPRZ1CD274CTSAPDCD1PPARD
SCHEMBL6256021 0.90 PTPRZ1 (0.42) PTPRZ1CD274CTSAPDCD1PPARD
SCHEMBL6233511 0.87 CTSA (0.42) CD274CTSAPDCD1
SCHEMBL6236909 0.86 NTRK1 (0.41) PTPRZ1CTSANTRK1CSF1RNTRK2
SCHEMBL6233776 0.85 CD274 (0.45) CD274PDCD1
SCHEMBL6232917 0.81 PTPRZ1 (0.43) PTPRZ1CTSAPPARD
SCHEMBL6261792 0.81 PTPRZ1 (0.43) PTPRZ1CTSAPPARD
SCHEMBL6235284 0.81 PTPRZ1 (0.37) PTPRZ1CD274

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