SCHEMBL29952708

SCHEMBL29952708

Nc1[nH][nH]c(=O)c1C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PNP P00491 1/20 0.30
TYMP P19971 1/20 0.30

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
SCHEMBL1060549 0.71 TYMP (0.46) KDM4ETDP1PNPTYMP
SCHEMBL11903918 0.70 NOTUM (0.41) KDM4ETDP1
SCHEMBL11775446 0.67 JAK2 (0.37)
SCHEMBL11904079 0.65 HCAR2 (0.37) KDM4E
SCHEMBL7058324 0.62 CYP1A2 (0.40) KDM4ETDP1
SCHEMBL28397803 0.62 CYP1A2 (0.40) KDM4ETDP1
SCHEMBL17351765 0.61 HCAR2 (0.35) TDP1TYMP
SCHEMBL7266193 0.60 CYP1A2 (0.38) KDM4ETDP1
Mellitic Acid SCHEMBL23507 0.60 CYP1A2 (0.50) KDM4E
Mellitic Acid SCHEMBL22971 0.60 CYP1A2 (0.50) KDM4E

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed