SCHEMBL6252197

SCHEMBL6252197

CC(=O)OCCNC(=O)N1C=NC=CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.33
MAPK1 P28482 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TP53 P04637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CHRM5 P08912 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRM3 P20309 2/20 0.31
RECQL P46063 1/20 0.31
PGR P06401 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
HTR1A P08908 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
SCHEMBL6251461 0.86 SMN1; SMN2 (0.40) MEN1KMT2ACYP3A4SMN1; SMN2KDM4E
SCHEMBL6252887 0.80 ALDH1A1 (0.34) SMN1; SMN2ALDH1A1CHRM5CHRM1CHRM3
SCHEMBL6252198 0.69 MEN1 (0.36) MEN1KMT2ACYP1A2CYP3A4SMN1; SMN2
SCHEMBL28782326 0.65 CHRM1 (0.47) MEN1KMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL279485 0.63 MAPK1 (0.50) MEN1KMT2ACYP1A2CYP3A4SMN1; SMN2
SCHEMBL13921582 0.63 ALDH1A1 (0.46) MEN1KMT2ACYP1A2CYP3A4SMN1; SMN2
SCHEMBL18281308 0.63
SCHEMBL13848563 0.63 MEN1 (0.54) MEN1KMT2ACYP1A2CYP3A4SMN1; SMN2
SCHEMBL11064976 0.62 ALDH1A1 (0.46) MEN1KMT2ACYP1A2CYP3A4SMN1; SMN2
SCHEMBL11064973 0.62 ALDH1A1 (0.44) MEN1KMT2ACYP1A2CYP3A4SMN1; SMN2

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-1243581-B1 Pyridinium compounds useful for the treatment of AGE-related diseases TORRENT PHARMACEUTICALS LTD (IN) 2005-07-13 EP claimed