SCHEMBL2335243

SCHEMBL2335243

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.66
MCL1 Q07820 6/20 0.66
MEN1 O00255 5/20 0.66
CTDSP1 Q9GZU7 4/20 0.66
TDP1 Q9NUW8 3/20 0.66
CACNA1B Q00975 2/20 0.66
APBA1 Q02410 2/20 0.66
CCR6 P51684 2/20 0.66
POLB P06746 2/20 0.66
DUSP3 P51452 2/20 0.66
USP2 O75604 1/20 0.66
PKM P14618 1/20 0.66
PTPN7 P35236 1/20 0.65
APOBEC3G Q9HC16 1/20 0.65
PTPN22 Q9Y2R2 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.63
APEX1 P27695 3/20 0.55
PTGES O14684 1/20 0.55
MAPT P10636 6/20 0.54
ALDH1A1 P00352 2/20 0.54

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
SCHEMBL2085226 1.00 KMT2A (0.66) KMT2AMCL1MEN1CTDSP1TDP1
SCHEMBL12934211 0.91 KMT2A (0.57) KMT2AMCL1MEN1CTDSP1TDP1
SCHEMBL14440259 0.88 KMT2A (0.82) KMT2AMCL1MEN1CTDSP1TDP1
SCHEMBL2083915 0.88 KMT2A (0.82) KMT2AMCL1MEN1CTDSP1TDP1
SCHEMBL5711202 0.87 CACNA1B (0.51) KMT2AMCL1MEN1CTDSP1TDP1
SCHEMBL5711204 0.87 CACNA1B (0.51) KMT2AMCL1MEN1CTDSP1TDP1
SCHEMBL2085591 0.85 KMT2A (0.70) KMT2AMCL1MEN1CTDSP1TDP1
SCHEMBL2085589 0.85 KMT2A (0.70) KMT2AMCL1MEN1CTDSP1TDP1
SCHEMBL12445150 0.85 KMT2A (0.70) KMT2AMCL1MEN1CTDSP1TDP1
SCHEMBL2084589 0.83 MEN1 (0.64) KMT2AMCL1MEN1CTDSP1CACNA1B

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-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