SCHEMBL3974809

SCHEMBL3974809

CNC(=S)Nc1ccc(C(NC(=O)O)C(C)(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
GAA P10253 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HPGD P15428 2/20 0.43
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALOX12 P18054 1/20 0.38

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
SCHEMBL3977164 0.85 ALDH1A1 (0.49) ALDH1A1GAASMN1; SMN2MAPTLMNA
SCHEMBL2384740 0.77 CNR2 (0.41) ALDH1A1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL14129389 0.71 ALDH1A1 (0.57) ALDH1A1L3MBTL1GAASMN1; SMN2MAPT
SCHEMBL185475 0.71 PPARG (0.42) ALDH1A1SMN1; SMN2LMNA
SCHEMBL5238900 0.70 BACE1 (0.43) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL2585606 0.70 ALDH1A1 (0.71) ALDH1A1L3MBTL1GAASMN1; SMN2MAPT
SCHEMBL3976209 0.70 HSD17B10 (0.40) ALDH1A1SMN1; SMN2LMNACA1CA2
SCHEMBL4055745 0.69 ALDH1A1 (0.48) ALDH1A1L3MBTL1GAASMN1; SMN2MAPT
SCHEMBL2590098 0.69 CYP1A2 (0.64) ALDH1A1L3MBTL1GAASMN1; SMN2MAPT
SCHEMBL13886030 0.68 ALDH1A1 (0.54) ALDH1A1L3MBTL1GAASMN1; SMN2MAPT

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