SCHEMBL6340728

SCHEMBL6340728

COc1ccc2c(c1)sc(=O)n2C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.66
SMN1; SMN2 Q16637 5/20 0.66
MAPT P10636 4/20 0.66
TP53 P04637 2/20 0.48
PARP15 Q460N3 1/20 0.48
PARP10 Q53GL7 1/20 0.48
TNKS2 Q9H2K2 1/20 0.48
PARP2 Q9UGN5 1/20 0.48
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
PIK3CD O00329 1/20 0.47
THRB P10828 2/20 0.46
KDM4E B2RXH2 4/20 0.46
HTR1A P08908 2/20 0.44
HTR2C P28335 2/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL31457649 0.86 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2MAPTTP53PARP15
SCHEMBL4614424 0.86 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2MAPTTP53PARP15
SCHEMBL20074050 0.82 MAPT (0.70) ALDH1A1SMN1; SMN2MAPTTP53PARP15
SCHEMBL4613833 0.82 MAPT (0.55) ALDH1A1SMN1; SMN2MAPTTP53KDM4E
SCHEMBL18263616 0.81 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MAPTTP53PARP15
SCHEMBL17306536 0.81 MAPT (0.47) ALDH1A1SMN1; SMN2MAPTTP53THRB
SCHEMBL13394783 0.80 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2MAPTTP53PARP15
SCHEMBL4813428 0.79 MAPT (1.00) ALDH1A1SMN1; SMN2MAPTTP53PARP15
SCHEMBL11781952 0.79 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2MAPTTP53PARP15
SCHEMBL9253353 0.79 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2MAPTTP53PARP15

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
EP-1607447-A1 Methods and compositions for dyeing a substrate Hewlett-Packard Development Company, L.P. (US) 2005-12-21 EP disclosed
US-20050274274-A1 Methods and compositions for dying a substrate HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2005-12-15 US disclosed