SCHEMBL6172805

SCHEMBL6172805

CC(=O)Nc1nc(OC(C)=O)cs1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.53
KMT2A Q03164 2/20 0.53
HSD17B10 Q99714 4/20 0.50
KDM4E B2RXH2 3/20 0.50
MAPT P10636 1/20 0.50
ABL1 P00519 6/20 0.48
NPC1 O15118 5/20 0.48
MAPK1 P28482 2/20 0.48
RAB9A P51151 4/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
ALOX15 P16050 1/20 0.46
TYR P14679 1/20 0.46
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
AOC3 Q16853 1/20 0.43

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
SCHEMBL4968801 0.84 SMN1; SMN2 (0.51) L3MBTL1SMN1; SMN2KMT2AHSD17B10KDM4E
SCHEMBL10541285 0.83 SMN1; SMN2 (0.47) SMN1; SMN2KMT2AKDM4EMAPTNPC1
SCHEMBL6641922 0.80 SMN1; SMN2 (0.37) L3MBTL1SMN1; SMN2KMT2AHSD17B10KDM4E
SCHEMBL4841581 0.75 MAPK1 (0.56) SMN1; SMN2HSD17B10MAPTNPC1MAPK1
SCHEMBL48394 0.74 MAPT (0.66) L3MBTL1SMN1; SMN2KMT2AHSD17B10KDM4E
SCHEMBL11350463 0.74 L3MBTL1 (0.62) L3MBTL1SMN1; SMN2KMT2AHSD17B10KDM4E
SCHEMBL19994395 0.74 MAPT (0.66) L3MBTL1SMN1; SMN2KMT2AHSD17B10KDM4E
SCHEMBL2771532 0.74 RAB9A (0.38) SMN1; SMN2KDM4EMAPTNPC1RAB9A
SCHEMBL13681839 0.73 L3MBTL1 (0.61) L3MBTL1SMN1; SMN2KMT2AHSD17B10KDM4E
SCHEMBL1938172 0.73 SMN1; SMN2 (0.62) L3MBTL1SMN1; SMN2KMT2AHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534693-A2 1, 3-DIAMINO-2-HYDROXYPROPANE PRODRUG DERIVATIVES Elan Pharmaceuticals, Inc. (US) 2005-06-01 EP claimed
WO-2004022523-A2 1, 3-DIAMINO-2-HYDROXYPROPANE PRODRUG DERIVATIVES ELAN PHARMACEUTICALS, INC. (US) 2004-03-18 WO claimed