SCHEMBL9848799

SCHEMBL9848799

C#CCN(Cc1ccc2nc(C)n(COC(=O)C(C)(C)C)c(=O)c2c1)c1ccccc1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 10/20 0.44
TYMS P04818 5/20 0.41
DHFR P00374 2/20 0.40

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
SCHEMBL9366697 0.94 NAMPT (0.45) NAMPTTYMS
SCHEMBL9388339 0.88 NAMPT (0.44) NAMPTTYMS
SCHEMBL9388293 0.85 NAMPT (0.45) NAMPTTYMS
SCHEMBL8488936 0.83 NAMPT (0.38) NAMPT
SCHEMBL9246347 0.83 NAMPT (0.54) NAMPTDHFR
SCHEMBL8490827 0.82 NAMPT (0.51) NAMPTTYMS
SCHEMBL8488360 0.82 NAMPT (0.40) NAMPT
SCHEMBL9391647 0.81 NAMPT (0.43) NAMPTTYMS
SCHEMBL9388342 0.81 NAMPT (0.42) NAMPTTYMS
SCHEMBL8488726 0.81 ALDH1A1 (0.37)

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
EP-0459730-A2 Anti-tumour compounds ZENECA LIMITED (GB) 1991-12-04 EP disclosed