SCHEMBL3975014

SCHEMBL3975014

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

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 6/20 0.57
LMNA P02545 2/20 0.55
KDM4E B2RXH2 2/20 0.51
MAPT P10636 2/20 0.51
CYP17A1 P05093 1/20 0.49
KDM4C Q9H3R0 1/20 0.49
ALDH1A1 P00352 4/20 0.48
GAA P10253 2/20 0.48
KMT2A Q03164 1/20 0.48
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTT P42858 1/20 0.46
PTPN11 Q06124 1/20 0.45

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
SCHEMBL3976512 0.88 NAMPT (0.56) MAPKAPK2LMNAMAPTALDH1A1GAA
SCHEMBL13885939 0.85 CDK1 (0.55) MAPKAPK2LMNACYP17A1ALDH1A1GAA
SCHEMBL13886030 0.83 ALDH1A1 (0.54) MAPKAPK2MAPTCYP17A1ALDH1A1GAA
SCHEMBL5925523 0.82 NAMPT (0.56) MAPKAPK2CYP17A1PTPN11
SCHEMBL13055402 0.82 CYP17A1 (0.59) MAPKAPK2CYP17A1ALDH1A1GAASMN1; SMN2
SCHEMBL31300042 0.81 GAA (0.60) MAPKAPK2LMNAMAPTALDH1A1GAA
SCHEMBL5106835 0.81 CYP17A1 (0.54) MAPKAPK2MAPTCYP17A1PTPN11
SCHEMBL31090335 0.79 GAA (0.61) MAPKAPK2LMNAMAPTCYP17A1ALDH1A1
SCHEMBL12677009 0.78 CYP17A1 (0.58) MAPKAPK2CYP17A1ALDH1A1POLB
SCHEMBL16193025 0.78 NAMPT (0.60) MAPKAPK2MAPTCYP17A1ALDH1A1GAA

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