SCHEMBL7027997

SCHEMBL7027997

Nc1nnc(CCC(=O)O)c(=O)n1N

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
HDAC6 Q9UBN7 2/20 0.36
KDM4E B2RXH2 4/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HTT P42858 1/20 0.32
PNP P00491 1/20 0.31

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
Hydrochloric Acid SCHEMBL7021156 0.98 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2APOBEC3AAPOBEC3GHDAC6
SCHEMBL11182853 0.81 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2APOBEC3AAPOBEC3GHDAC6
SCHEMBL7031322 0.79 LMNA (0.46) ALDH1A1SMN1; SMN2KDM4EHSD17B10
SCHEMBL11267315 0.78 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2APOBEC3AAPOBEC3GHDAC6
Hydrochloric Acid SCHEMBL7030321 0.77 LMNA (0.45) ALDH1A1SMN1; SMN2KDM4EHSD17B10
SCHEMBL11250463 0.72 SMN1; SMN2 (0.36) ALDH1A1SMN1; SMN2APOBEC3AAPOBEC3GHDAC6
SCHEMBL7028443 0.72 KDM4E (0.33) ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL8517214 0.70 TBXAS1 (0.41) ALDH1A1
SCHEMBL17272788 0.69 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2HDAC6KDM4ETP53
SCHEMBL9802011 0.68 NPSR1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0889884-B1 1,2,4-TRIAZINE DERIVATIVES FOR THE INHIBITION OF PROTEIN GLYCOSYLATION ALTEON INC (US) 2003-01-29 EP disclosed
US-6380192-B1 FOR INHIBITING NONENZYMATIC CROSS-LINKING (PROTEIN AGING) ALTEON, INC. 2002-04-30 US disclosed
US-6060470-A Triazine compounds and methods of use therefor ALTEON, INC. 2000-05-09 US disclosed
US-5932578-A CAPABLE OF INHIBITING THE FORMATION OF ADVANCED GLYCOSYLATION ENDPRODUCTS OF TARGET PROTEINS. FOOD SPOILAGE AND ANIMAL PROTEIN AGING CAN BE TREATED. ALTEON INC. (US) 1999-08-03 US disclosed