SCHEMBL27611348

SCHEMBL27611348

NC(=O)c1cccn1CCO

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
MAP3K14 Q99558 1/20 0.53
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
ALOX12 P18054 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41
ADRA1D P25100 1/20 0.40
PARP1 P09874 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
GAA P10253 1/20 0.37
TGFBR1 P36897 1/20 0.36
TGFBR2 P37173 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CNR2 P34972 2/20 0.35
MAOB P27338 1/20 0.34

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
SCHEMBL29102668 0.84 LMNA (0.50) LMNAMAP3K14KDM4EALDH1A1MEN1
SCHEMBL1664496 0.83 LMNA (0.44) LMNAMAP3K14KDM4EALDH1A1MEN1
SCHEMBL27840672 0.81 LMNA (0.47) LMNAMAP3K14KDM4EALDH1A1MEN1
SCHEMBL15327919 0.80 SMN1; SMN2 (0.54) KDM4EALDH1A1MAPTADRA1DPARP1
SCHEMBL11022537 0.80 LMNA (0.46) LMNAMAP3K14KDM4EALDH1A1MEN1
SCHEMBL4027334 0.80 LMNA (0.46) LMNAMAP3K14KDM4EALDH1A1MEN1
SCHEMBL6823635 0.80 LMNA (0.46) LMNAMAP3K14KDM4EALDH1A1MEN1
SCHEMBL4427821 0.79 LMNA (0.53) LMNAMAP3K14KDM4EALDH1A1MEN1
SCHEMBL27914648 0.79 ALDH1A1 (0.38) LMNAMAP3K14KDM4EALDH1A1MEN1
SCHEMBL21812525 0.78 PARP1 (0.44) LMNAMAP3K14KDM4EALDH1A1MAPT

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
CN-1688573-A Pyrrole based inhibitors of glycogen synthase kinase 3 CHIRON CORP (US) 2005-10-26 CN disclosed