SCHEMBL2332224

SCHEMBL2332224

CCOS(=O)(=O)CCN1C(=O)/C(=C2\C(=O)N(Cc3ccccc3)c3ccccc32)SC1=S

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
POLB P06746 1/20 0.64
CTDSP1 Q9GZU7 3/20 0.58
KAT2B Q92831 6/20 0.56
CREBBP Q92793 5/20 0.56
KAT2A Q92830 5/20 0.56
EP300 Q09472 3/20 0.56
MAPT P10636 2/20 0.55
LMNA P02545 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
TSHR P16473 1/20 0.55
CYP2C19 P33261 1/20 0.55
DUSP3 P51452 2/20 0.53
PTPN7 P35236 1/20 0.53
CACNA1B Q00975 1/20 0.53
APBA1 Q02410 1/20 0.53
PTPN12 Q05209 1/20 0.53

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
SCHEMBL2084589 1.00 MEN1 (0.64) MEN1KMT2APOLBCTDSP1KAT2B
SCHEMBL12934212 0.90 MEN1 (0.53) MEN1KMT2APOLBCTDSP1KAT2B
SCHEMBL2084943 0.85 MEN1 (0.85) MEN1KMT2APOLBCTDSP1KAT2B
SCHEMBL2084941 0.85 MEN1 (0.85) MEN1KMT2APOLBCTDSP1KAT2B
SCHEMBL2335243 0.83 KMT2A (0.66) MEN1KMT2APOLBCTDSP1MAPT
SCHEMBL2085226 0.83 KMT2A (0.66) MEN1KMT2APOLBCTDSP1MAPT
SCHEMBL5711322 0.81 MEN1 (0.64) MEN1KMT2APOLBCTDSP1KAT2B
SCHEMBL5711202 0.81 CACNA1B (0.51) MEN1KMT2APOLBCTDSP1KAT2B
SCHEMBL5711204 0.81 CACNA1B (0.51) MEN1KMT2APOLBCTDSP1KAT2B
SCHEMBL12934213 0.77 MEN1 (0.68) MEN1KMT2APOLBCTDSP1KAT2B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1885717-B1 SHP-2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND THEIR USE FOR TREATING PHOSPHATASE-MEDIATED DISEASES MAX DELBRUECK CENTRUM (DE) 2011-08-17 EP disclosed
EP-1885717-A1 SHP-2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND THEIR USE FOR TREATING PHOSPHATASE-MEDIATED DISEASES MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN (DE) 2008-02-13 EP disclosed
WO-2006128909-A1 SHP-2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND THEIR USE FOR TREATING PHOSPHATASE-MEDIATED DISEASES Max-Delbrück-Centrum für Molekulare Medizin (DE) 2006-12-07 WO disclosed
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