SCHEMBL1490854

SCHEMBL1490854

[CH2]CC(NS(C)(=O)=O)c1cccc(C(=O)NCCC)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
TP53BP1 Q12888 1/20 0.43
ERN1 O75460 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ROCK2 O75116 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CHRM2 P08172 1/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
PSMB8 P28062 1/20 0.39
PSMB5 P28074 1/20 0.39
NAMPT P43490 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
SCHEMBL1490807 0.83 ROCK2 (0.50) ALDH1A1ROCK2GAA
SCHEMBL30277616 0.76 TP53BP1 (0.67) L3MBTL1ALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL104557 0.76 TP53BP1 (0.67) L3MBTL1ALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL12829992 0.75 L3MBTL1 (0.63) L3MBTL1ALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL13763531 0.74 L3MBTL1 (0.80) L3MBTL1ALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL6358306 0.72 ALDH1A1 (0.66) L3MBTL1ALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL1490877 0.72 ALDH1A1 (0.45) ALDH1A1POLBSMN1; SMN2
SCHEMBL1490852 0.71 L3MBTL1 (0.57) L3MBTL1ALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL7214340 0.70 L3MBTL1 (0.69) L3MBTL1ALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL104559 0.69 TP53BP1 (0.61) L3MBTL1SMN1; SMN2KMT2AMEN1TP53BP1

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
US-7897609-B2 Aryl substituted imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-03-01 US disclosed