SCHEMBL9867945

SCHEMBL9867945

CCOC(=O)CCN(C(N)=O)c1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
PPID Q08752 1/20 0.38
GAA P10253 1/20 0.37
TBXAS1 P24557 2/20 0.37
CYP1A2 P05177 1/20 0.37
TOP2A P11388 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
LMNA P02545 1/20 0.36
ALOX5 P09917 1/20 0.36
CDC7 O00311 1/20 0.36
DBF4 Q9UBU7 1/20 0.36
LTA4H P09960 1/20 0.36

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
SCHEMBL27594794 0.80 SLC6A2 (0.42) SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL13534451 0.77 ALOX5 (0.44) SMN1; SMN2CYP4F2CYP4A11PPIDTBXAS1
SCHEMBL29723856 0.76 MLYCD (0.46) ALDH1A1KDM4ECYP1A2LMNACDC7
SCHEMBL850295 0.76 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1MAPK1CYP4F2CYP4A11
SCHEMBL9554159 0.73 LTA4H (0.51) SMN1; SMN2ALDH1A1CYP4F2CYP4A11PPID
SCHEMBL29264326 0.73 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1MAPK1CYP4F2CYP4A11
SCHEMBL22119779 0.71 OPRM1 (0.42) SMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL31393600 0.71 PLG (0.42) SMN1; SMN2ALDH1A1KDM4EMAPK1GAA
SCHEMBL27568133 0.71 CA12 (0.42) SMN1; SMN2ALDH1A1KDM4EMAPK1PPID
SCHEMBL21821644 0.71 SMN1; SMN2 (0.73) SMN1; SMN2ALDH1A1CYP4F2CYP4A11TOP2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4997667-A Pyridinyl compounds of N-carbamoyl-N-thiocarbamoyl- or N-amidino-glycine or beta-alanine useful as sweetening agents UNIVERSITE CLAUDE BERNARD (FR) 1991-03-05 US disclosed
EP-0321369-A1 Heterocyclic sweeteners derived from N-carbamoyl-, N-thiocarbamoyl or N-amidino-glycine or beta-alanine UNIVERSITE CLAUDE BERNARD - LYON 1 (FR) 1989-06-21 EP disclosed