SCHEMBL6182639

SCHEMBL6182639

O=[C]NNC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.64
EPHX2 P34913 1/20 0.56
FABP5 Q01469 3/20 0.46
FABP7 O15540 2/20 0.46
CASP3 P42574 2/20 0.45
MDM4 O15151 1/20 0.42
TP53 P04637 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42

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
SCHEMBL1800381 0.83 KMT2A (0.64) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL30238049 0.83 KMT2A (0.64) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL3757636 0.82 KMT2A (0.72) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL402111 0.82 KMT2A (0.68) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL13613350 0.82 KMT2A (0.72) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL21332462 0.81 KMT2A (0.66) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL25037329 0.79 KMT2A (0.64) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL4225816 0.79 KMT2A (0.68) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL29223688 0.79 KMT2A (0.59) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL12235815 0.79 KMT2A (0.64) KMT2AEPHX2FABP5FABP7CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513811-A1 NON-PEPTIDIC BRS-3 AGONISTS Solvay Pharmaceuticals GmbH (DE) 2005-03-16 EP disclosed
WO-2003104196-A1 NON-PEPTIDIC BRS-3 AGONISTS SOLVAY PHARMACEUTICALS GMBH (DE) 2003-12-18 WO disclosed