SCHEMBL9514889

SCHEMBL9514889

CN(C)c1cnc(C(=O)N[C@H](CCC(=O)O)C(=O)O)s1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TYMS P04818 8/20 0.55
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
GART P22102 1/20 0.45

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
SCHEMBL9514877 1.00 TYMS (0.55) TYMSKDM4EHPGDGART
SCHEMBL9385317 0.81 TYMS (0.53) TYMSKDM4EHPGDGART
SCHEMBL9385323 0.81 TYMS (0.53) TYMSKDM4EHPGDGART
SCHEMBL9515633 0.80 GART (0.52) TYMSKDM4EHPGDGART
SCHEMBL9515649 0.80 GART (0.52) TYMSKDM4EHPGDGART
SCHEMBL28614756 0.78 TYMS (0.55) TYMS
SCHEMBL28614753 0.78 TYMS (0.55) TYMS
SCHEMBL9817811 0.77 L3MBTL1 (0.53) TYMSKDM4EHPGD
SCHEMBL9817805 0.77 L3MBTL1 (0.53) TYMSKDM4EHPGD
SCHEMBL9515617 0.76 KDM4E (0.46) TYMSKDM4EHPGDGART

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-0284338-B1 Anti-tumour agents ICI PLC (GB) 1993-12-22 EP disclosed