SCHEMBL5711202

SCHEMBL5711202

CCOS(=O)(=O)CCN1C(=O)/C(=C2\C(=O)N(C(=O)Nc3ccccc3)c3ccccc32)SC1=S

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.51
APBA1 Q02410 3/20 0.51
PTPN7 P35236 2/20 0.51
PTPN22 Q9Y2R2 2/20 0.51
APOBEC3G Q9HC16 1/20 0.51
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
CTDSP1 Q9GZU7 4/20 0.50
TDP1 Q9NUW8 3/20 0.50
DUSP3 P51452 3/20 0.50
CCR6 P51684 2/20 0.50
MCL1 Q07820 2/20 0.50
POLB P06746 2/20 0.50
USP2 O75604 1/20 0.50
PKM P14618 1/20 0.50
APEX1 P27695 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 4/20 0.47
PTGES O14684 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL5711204 1.00 CACNA1B (0.51) CACNA1BAPBA1PTPN7PTPN22APOBEC3G
SCHEMBL5711221 0.88 MEN1 (0.63) CACNA1BAPBA1PTPN7PTPN22APOBEC3G
SCHEMBL5711218 0.88 MEN1 (0.63) CACNA1BAPBA1PTPN7PTPN22APOBEC3G
SCHEMBL2085226 0.87 KMT2A (0.66) CACNA1BAPBA1PTPN7PTPN22APOBEC3G
SCHEMBL2335243 0.87 KMT2A (0.66) CACNA1BAPBA1PTPN7PTPN22APOBEC3G
SCHEMBL12934211 0.81 KMT2A (0.57) CACNA1BAPBA1PTPN7PTPN22APOBEC3G
SCHEMBL2084589 0.81 MEN1 (0.64) CACNA1BAPBA1PTPN7PTPN22MEN1
SCHEMBL2332224 0.81 MEN1 (0.64) CACNA1BAPBA1PTPN7PTPN22MEN1
SCHEMBL2085225 0.79 MEN1 (0.41) CACNA1BAPBA1PTPN7PTPN22APOBEC3G
SCHEMBL2083915 0.74 KMT2A (0.82) CACNA1BAPBA1PTPN7PTPN22APOBEC3G

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
EP-1728790-A1 Shp-2 inhibitors, pharmaceutical compositions comprising them and their use for treating phosphatase-mediated diseases MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN (DE) 2006-12-06 EP disclosed