SCHEMBL3976512

SCHEMBL3976512

CCNC(=S)Nc1ccc(CNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.56
GAA P10253 1/20 0.53
ALDH1A1 P00352 3/20 0.51
MAPKAPK2 P49137 4/20 0.50
POLB P06746 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HPGD P15428 1/20 0.50
MAPT P10636 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL16193025 0.92 NAMPT (0.60) NAMPTGAAALDH1A1MAPKAPK2POLB
SCHEMBL3975984 0.88 NAMPT (0.57) NAMPTGAAALDH1A1MAPKAPK2HPGD
SCHEMBL3975014 0.88 MAPKAPK2 (0.57) GAAALDH1A1MAPKAPK2POLBSMN1; SMN2
SCHEMBL1258475 0.87 NAMPT (0.62) NAMPTGAAALDH1A1POLBRAB9A
SCHEMBL5388847 0.84 NAMPT (0.58) NAMPTGAAMAPKAPK2MAPTTDP1
SCHEMBL19694494 0.82 NAMPT (0.62) NAMPTGAASMN1; SMN2MAPTTDP1
SCHEMBL3180689 0.81 L3MBTL1 (0.61) NAMPTGAAMAPTTDP1
SCHEMBL5386906 0.81 ALDH1A1 (0.56) NAMPTALDH1A1POLBRAB9AHPGD
SCHEMBL8253777 0.81 NAMPT (0.60) NAMPTGAAALDH1A1MAPTTDP1
SCHEMBL2589540 0.81 NAMPT (0.60) NAMPTGAAALDH1A1MAPTTDP1

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
WO-2009053448-A1 COMPOUNDS WHICH POTENTIATE AMPA RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2009-04-30 WO disclosed
WO-2009053448-A1 COMPOUNDS WHICH POTENTIATE AMPA RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2009-04-30 WO disclosed