SCHEMBL14696969

SCHEMBL14696969

CCOC(=O)CCN(c1ccccn1)S(=O)(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GALR3 O60755 1/20 0.41
MAPT P10636 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LTA4H P09960 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL15150399 0.81 LMNA (0.49) LMNAALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL7708661 0.79 LMNA (0.47) LMNAALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL7903528 0.75 HDAC1 (0.62) HDAC3HDAC4HDAC1HDAC2HDAC6
SCHEMBL14544592 0.75 ALDH1A1 (0.48) LMNAALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL6860110 0.73 HDAC1 (0.44) LMNAALDH1A1SMN1; SMN2LTA4HHDAC3
SCHEMBL14696968 0.73 LMNA (0.44) LMNAALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL3254096 0.72 LMNA (0.51) LMNAALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL13833091 0.72 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2MAPTMEN1GAA
SCHEMBL1120660 0.71 LMNA (0.50) LMNAALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL28314875 0.71 NLRP3 (0.41) LMNASMN1; SMN2GALR3MAPTMEN1

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
WO-2013024384-A1 IMPROVED PROCESS FOR PREPARATION OF DABIGATRAN ETEXILATE AND ITS NOVEL INTERMEDIATE ALEMBIC PHARMACEUTICALS LIMITED (IN) 2013-02-21 WO disclosed