SCHEMBL4330104

SCHEMBL4330104

CSC[C@@H](O)[C@@H](CO)NC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ASAH1 Q13510 1/20 0.36
TGFBR1 P36897 1/20 0.32
MTAP Q13126 4/20 0.32
DEGS1 O15121 1/20 0.32
PAX8 Q06710 1/20 0.31
OR51E2 Q9H255 1/20 0.30

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
SCHEMBL4330244 1.00 MEN1 (0.37) MEN1KMT2AASAH1TGFBR1MTAP
SCHEMBL25207337 0.81 PDE4A (0.39) MEN1KMT2AASAH1TGFBR1DEGS1
SCHEMBL16215024 0.75 CA1 (0.49) KMT2A
SCHEMBL9007649 0.75 MEN1 (0.35) MEN1KMT2AASAH1DEGS1OR51E2
SCHEMBL9007655 0.75 MEN1 (0.35) MEN1KMT2AASAH1DEGS1OR51E2
SCHEMBL16468486 0.74 PAX8 (0.38) MEN1KMT2AASAH1TGFBR1PAX8
SCHEMBL3743604 0.74 PAX8 (0.38) MEN1KMT2AASAH1TGFBR1PAX8
SCHEMBL20572594 0.74 PAX8 (0.38) MEN1KMT2AASAH1TGFBR1PAX8
SCHEMBL25173479 0.74 PAX8 (0.38) MEN1KMT2AASAH1TGFBR1PAX8
SCHEMBL3743599 0.74 PAX8 (0.38) MEN1KMT2AASAH1TGFBR1PAX8

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-2049543-B1 ACYCLIC AMINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE CALLAGHAN INNOVATION RES LTD (NZ) 2014-11-05 EP disclosed
US-8383636-B2 Acyclic amine inhibitors of 5-methytioadenosine phosphorylase and nucleosidase INDUSTRIAL RESEARCH LIMITED (NZ) 2013-02-26 US disclosed
EP-2049543-A1 ACYCLIC AMINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE INDUSTRIAL RESEARCH LIMITED (NZ) 2009-04-22 EP disclosed
WO-2008030118-A1 ACYCLIC AMINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE INDUSTRIAL RESEARCH LIMITED (NZ) 2008-03-13 WO disclosed