SCHEMBL6233776

SCHEMBL6233776

COc1cc(OCc2ccccc2)cc(OC)c1CNC(C)c1ncc(C)s1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 19/20 0.45
PDCD1 Q15116 1/20 0.45
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL6233511 0.90 CTSA (0.42) CD274PDCD1KMT2A
SCHEMBL6230535 0.88 CD274 (0.46) CD274PDCD1MEN1KMT2ATDP1
SCHEMBL6233373 0.86 CD274 (0.42) CD274PDCD1
SCHEMBL6231277 0.85 PTPRZ1 (0.41) CD274PDCD1
SCHEMBL6235977 0.84 KMT2A (0.57) MEN1KMT2ATDP1
SCHEMBL6231703 0.83 LMNA (0.53) MEN1KMT2ATDP1
SCHEMBL6231706 0.83 LMNA (0.53) MEN1KMT2ATDP1
SCHEMBL6257115 0.82 CTSA (0.39) CD274PDCD1
SCHEMBL6257119 0.82 CTSA (0.39) CD274PDCD1
SCHEMBL6237847 0.82 BCHE (0.54) MEN1KMT2A

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