SCHEMBL6263202

SCHEMBL6263202

O=C(O)COc1ccsc1C(=O)OC(=O)c1sccc1OCC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.58
MEN1 O00255 3/20 0.58
CYP1A2 P05177 1/20 0.58
L3MBTL1 Q9Y468 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
GLA P06280 1/20 0.42
RAB9A P51151 1/20 0.41
PTPRC P08575 1/20 0.41
PTPN1 P18031 1/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.41
ALDH1A1 P00352 5/20 0.40
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
ALOX15 P16050 1/20 0.40
CYP2C9 P11712 1/20 0.40
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CD69 Q07108 1/20 0.39

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
SCHEMBL6263195 0.86 PTPN1 (0.54) KMT2AMEN1CYP1A2L3MBTL1SMN1; SMN2
SCHEMBL3906779 0.86 PTPN1 (0.54) KMT2AMEN1CYP1A2L3MBTL1SMN1; SMN2
SCHEMBL24496665 0.78 KMT2A (0.68) KMT2AMEN1CYP1A2L3MBTL1SMN1; SMN2
SCHEMBL11626866 0.75 TDP1 (0.50) KMT2AMEN1CYP1A2L3MBTL1SMN1; SMN2
SCHEMBL18095045 0.73 KMT2A (1.00) KMT2AMEN1CYP1A2L3MBTL1SMN1; SMN2
SCHEMBL3946663 0.72 L3MBTL1 (0.50) KMT2AMEN1CYP1A2L3MBTL1SMN1; SMN2
SCHEMBL6276054 0.72 KDM4E (0.51) KMT2AMEN1CYP1A2L3MBTL1SMN1; SMN2
SCHEMBL23018059 0.71 KMT2A (0.68) KMT2AMEN1CYP1A2L3MBTL1SMN1; SMN2
SCHEMBL6264816 0.70 KMT2A (0.77) KMT2AMEN1CYP1A2L3MBTL1SMN1; SMN2
SCHEMBL3280235 0.69 KMT2A (0.76) KMT2AMEN1CYP1A2L3MBTL1SMN1; SMN2

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-2005081954-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B WYETH (US) 2005-09-09 WO disclosed