SCHEMBL5808296

SCHEMBL5808296

CCOc1ccc(NC(=O)C[S])cc1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.77
MAPT P10636 6/20 0.69
ALDH1A1 P00352 5/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
KDM4E B2RXH2 2/20 0.69
MAPK1 P28482 1/20 0.69
KMT2A Q03164 5/20 0.67
MEN1 O00255 4/20 0.67
CYP1A2 P05177 2/20 0.67
LMNA P02545 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
HTT P42858 1/20 0.65
NPC1 O15118 2/20 0.63
HPGD P15428 1/20 0.63
RAB9A P51151 1/20 0.63
GAA P10253 1/20 0.61
TSHR P16473 1/20 0.58

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
SCHEMBL9312707 0.87 POLB (1.00) POLBMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL12445438 0.86 POLB (0.83) POLBMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL25086 0.84 POLB (0.80) POLBMAPTALDH1A1SMN1; SMN2KDM4E
Fenacetinol SCHEMBL2850567 0.84 POLB (0.80) POLBMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL2853774 0.83 POLB (0.83) POLBMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL9842944 0.83 POLB (0.77) POLBMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL29270204 0.83 POLB (0.77) POLBMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL5808300 0.83 POLB (0.77) POLBMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL6424909 0.83 POLB (0.77) POLBMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL10576308 0.82 MAPT (0.86) POLBMAPTALDH1A1SMN1; SMN2KDM4E

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-2006093518-A2 THIENYL COMPOUNDS FOR TREATING VIRUS-RELATED CONDITIONS APATH, LLC (US) 2006-09-08 WO disclosed