SCHEMBL6232104

SCHEMBL6232104

COc1cc(OCc2ccc(SC(F)(F)F)cc2)ccc1CNC(C)c1ncc(C)s1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPRZ1 P23471 1/20 0.42
PPARD Q03181 2/20 0.37
CD274 Q9NZQ7 2/20 0.36
CTSA P10619 8/20 0.35
PDCD1 Q15116 1/20 0.34
CSF1R P07333 2/20 0.34
NTRK1 P04629 1/20 0.34
NTRK2 Q16620 1/20 0.34
PDE2A O00408 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPN7 P35236 1/20 0.33
PPARA Q07869 2/20 0.33
PDGFRB P09619 1/20 0.32
KDR P35968 1/20 0.32
PPARG P37231 1/20 0.32

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
SCHEMBL6256021 1.00 PTPRZ1 (0.42) PTPRZ1PPARDCD274CTSAPDCD1
SCHEMBL6231277 0.90 PTPRZ1 (0.41) PTPRZ1PPARDCD274CTSAPDCD1
SCHEMBL6232917 0.89 PTPRZ1 (0.43) PTPRZ1PPARDCTSAPDE2APTPN2
SCHEMBL6261792 0.89 PTPRZ1 (0.43) PTPRZ1PPARDCTSAPDE2APTPN2
SCHEMBL6230535 0.85 CD274 (0.46) CD274CTSAPDCD1PPARAPDGFRB
SCHEMBL6236909 0.85 NTRK1 (0.41) PTPRZ1CTSACSF1RNTRK1NTRK2
SCHEMBL6232926 0.81 PTPRZ1 (0.42) PTPRZ1PPARDCD274PDCD1
SCHEMBL6235284 0.80 PTPRZ1 (0.37) PTPRZ1CD274PTPN1PPARA
SCHEMBL6234945 0.80 PTPRZ1 (0.39) PTPRZ1PPARDCD274CTSAPDCD1
SCHEMBL6271280 0.80 PTPRZ1 (0.39) PTPRZ1PPARDCD274CTSAPDCD1

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