SCHEMBL3976381

SCHEMBL3976381

CNC(=S)Nc1ccc(CC(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.58
MAPT P10636 6/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
GAA P10253 2/20 0.51
HPGD P15428 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
LMNA P02545 4/20 0.45
ALOX12 P18054 2/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 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
SCHEMBL9453900 0.91 SMN1; SMN2 (0.51) ALDH1A1MAPTSMN1; SMN2GAAHPGD
SCHEMBL24778058 0.84 RAB9A (0.61) ALDH1A1MAPTSMN1; SMN2GAAHPGD
SCHEMBL17469336 0.79 ALDH1A1 (0.64) ALDH1A1MAPTSMN1; SMN2GAAHPGD
SCHEMBL19997538 0.79 ALDH1A1 (0.55) ALDH1A1MAPTSMN1; SMN2GAAHPGD
SCHEMBL10160141 0.79 SMN1; SMN2 (0.55) ALDH1A1MAPTSMN1; SMN2GAAHPGD
SCHEMBL14129337 0.78 ALDH1A1 (0.56) ALDH1A1MAPTSMN1; SMN2GAAHPGD
SCHEMBL19851224 0.78 ALDH1A1 (0.62) ALDH1A1MAPTSMN1; SMN2GAAHPGD
SCHEMBL23132674 0.77 ALDH1A1 (0.53) ALDH1A1MAPTSMN1; SMN2GAAHPGD
SCHEMBL25474697 0.77 LMNA (0.57) ALDH1A1MAPTSMN1; SMN2GAAHPGD
SCHEMBL8867893 0.76 ALDH1A1 (0.60) ALDH1A1MAPTSMN1; SMN2GAAHPGD

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