SCHEMBL8530686

SCHEMBL8530686

CCCOC(=O)c1cccc2nnsc12.COC(=O)c1cccc2nnsc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
MAPK1 P28482 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
TSHR P16473 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
LMNA P02545 3/20 0.40
PDK2 Q15119 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ILK Q13418 1/20 0.37
DDX3X O00571 1/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL4203207 0.95 ALDH1A1 (0.55) ALDH1A1MAPK1SMN1; SMN2TSHRL3MBTL1
SCHEMBL543646 0.88 MAPT (0.49) ALDH1A1SMN1; SMN2TSHRMAPTTP53
SCHEMBL9084604 0.87 TSHR (0.57) ALDH1A1MAPK1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL9087303 0.86 MAPK1 (0.59) ALDH1A1MAPK1SMN1; SMN2TSHRL3MBTL1
SCHEMBL9087862 0.84 TSHR (0.53) ALDH1A1MAPK1SMN1; SMN2CYP1A2CYP2C19
1,2,3-Benzothia-Diazole-7-Carboxylic Acid SCHEMBL8588144 0.83 MAPT (0.45) ALDH1A1SMN1; SMN2TSHRTDP1MAPT
SCHEMBL9086816 0.82 MAPK1 (0.40) ALDH1A1MAPK1SMN1; SMN2TSHRL3MBTL1
SCHEMBL30996828 0.81 ACHE (0.40) ALDH1A1MAPK1SMN1; SMN2TSHRL3MBTL1
SCHEMBL30996829 0.81 ACHE (0.40) ALDH1A1MAPK1SMN1; SMN2TSHRL3MBTL1
SCHEMBL9086720 0.81 MAPK1 (0.43) ALDH1A1MAPK1SMN1; SMN2TSHRL3MBTL1

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
US-5804693-A TRANSGENIC PLANT, PLANT CELL OR PLANT TISSUE COMPRISING AN ENCODED ENZYME CAPABLE METABOLIZING SALICYLIC ACID NOVARTIS FINANCE CORPORATION (US) 1998-09-08 US disclosed