SCHEMBL9830804

SCHEMBL9830804

Cc1nc2ccc(CN(CCF)c3ccc(C(=O)N[C@@H](CCC(N)=O)C(=O)O)cc3)cc2c(=O)[nH]1

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TYMS P04818 13/20 0.72

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
SCHEMBL9555849 0.94 TYMS (0.82) TYMS
SCHEMBL9829748 0.88 TYMS (0.73) TYMS
SCHEMBL9556074 0.85 TYMS (0.84) TYMS
SCHEMBL9829344 0.85 TYMS (0.62) TYMS
SCHEMBL9828890 0.82 TYMS (0.88) TYMS
SCHEMBL9555830 0.82 TYMS (0.84) TYMS
SCHEMBL9832008 0.82 TYMS (0.61) TYMS
SCHEMBL9556268 0.81 TYMS (0.83) TYMS
SCHEMBL9556185 0.81 TYMS (0.70) TYMS
SCHEMBL9556195 0.81 TYMS (0.70) TYMS

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-0239362-B1 ANTI-TUMOR AGENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-12-04 EP claimed