SCHEMBL27464202

SCHEMBL27464202

CCC1=Cc2c(cccc2-c2ccccc2)[CH]1.I[Hf]I

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
SETD7 Q8WTS6 1/20 0.31

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
SCHEMBL2850867 0.94 PDCD1 (0.36) PDCD1CD274SETD7
SCHEMBL27510452 0.92 PDCD1 (0.35) PDCD1CD274SETD7
SCHEMBL27504828 0.92 PDCD1 (0.35) PDCD1CD274SETD7
SCHEMBL27477687 0.91 PDCD1 (0.33) PDCD1CD274SETD7
SCHEMBL27464629 0.91 PDCD1 (0.33) PDCD1CD274SETD7
SCHEMBL27464626 0.89 PDCD1 (0.33) PDCD1CD274SETD7
SCHEMBL27463817 0.89 PDCD1 (0.33) PDCD1CD274SETD7
SCHEMBL27428051 0.88 PDCD1 (0.33) PDCD1CD274SETD7
SCHEMBL27547873 0.83 ADORA3 (0.35) SETD7
SCHEMBL27687608 0.81 ADORA3 (0.34)

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
CN-1160055-A Process for reducing by-product in product mixture HOECHST AG (DE) 1997-09-24 CN disclosed