SCHEMBL2145709

SCHEMBL2145709

NC(=O)c1ncn(CCOc2ccc(C(=O)O)cc2)c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 4/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 1/20 0.50
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
HTT P42858 2/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 2/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
PARP10 Q53GL7 2/20 0.44
TSHR P16473 2/20 0.44
MAPK1 P28482 2/20 0.44
USP2 O75604 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TP53 P04637 1/20 0.43
PLA2G4B P0C869 1/20 0.42

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
SCHEMBL2145473 0.88 GAA (0.51) TBXAS1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL2145517 0.86 MAPK1 (0.56) TBXAS1MEN1KMT2ALMNAPKM
SCHEMBL2145752 0.86 NSD2 (0.49) TBXAS1SMN1; SMN2HTTGAAPARP10
SCHEMBL2145277 0.84 NSD2 (0.51) TBXAS1ALDH1A1PARP10KDM4EPARP15
SCHEMBL2145612 0.83 TBXAS1 (0.52) TBXAS1MEN1KMT2ALMNAPKM
SCHEMBL2145870 0.80 MAPK1 (0.57) TBXAS1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL2145861 0.80 L3MBTL1 (0.52) TBXAS1MEN1KMT2ALMNAPKM
SCHEMBL2145878 0.79 RXFP1 (0.48) TBXAS1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL2145351 0.77 NSD2 (0.49) TBXAS1ALDH1A1
SCHEMBL2145585 0.72 MAPK1 (0.54) TBXAS1LMNASMN1; SMN2HTTMAPK1

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-2040702-B1 USE OF AMPK-ACTIVATING IMIDAZOLE DERIVATIVES, PREPARATION PROCESS THEREFOR AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM MERCK PATENT GMBH (DE) 2011-07-27 EP claimed