SCHEMBL9515633

SCHEMBL9515633

Nc1cnc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GART P22102 1/20 0.52
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
CA2 P00918 2/20 0.47
CA1 P00915 1/20 0.47
FOLH1 Q04609 2/20 0.46
RIMKLA Q8IXN7 1/20 0.46
NAALAD2 Q9Y3Q0 1/20 0.46
DHFR P00374 4/20 0.46
TYMS P04818 3/20 0.46

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
SCHEMBL9515649 1.00 GART (0.52) GARTKDM4EHPGDCA2CA1
SCHEMBL9385317 0.81 TYMS (0.53) GARTKDM4EHPGDCA2CA1
SCHEMBL9385323 0.81 TYMS (0.53) GARTKDM4EHPGDCA2CA1
SCHEMBL9514889 0.80 TYMS (0.55) GARTKDM4EHPGDTYMS
SCHEMBL9514877 0.80 TYMS (0.55) GARTKDM4EHPGDTYMS
SCHEMBL9515630 0.79 KDM4E (0.46) GARTKDM4EHPGDCA2CA1
SCHEMBL9515617 0.79 KDM4E (0.46) GARTKDM4EHPGDCA2CA1
SCHEMBL9600674 0.77 CA2 (0.52) GARTCA2CA1FOLH1RIMKLA
SCHEMBL9600688 0.77 CA2 (0.52) GARTCA2CA1FOLH1RIMKLA
SCHEMBL9817736 0.75 L3MBTL1 (0.55) GARTKDM4EHPGDDHFR

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