SCHEMBL9190895

SCHEMBL9190895

O=C=NCC[N]C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
FABP5 Q01469 3/20 0.43
FABP7 O15540 2/20 0.43
EPHX2 P34913 1/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CASP3 P42574 4/20 0.38
MDM4 O15151 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL9193902 0.82 KMT2A (0.53) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL2744229 0.81 KMT2A (0.49) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL18495314 0.79 KMT2A (0.59) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL8516375 0.78 KMT2A (0.54) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL2905177 0.76 KMT2A (0.65) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL2905179 0.76 KMT2A (0.43) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL2889611 0.76 KMT2A (0.55) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL8853824 0.75 KMT2A (0.42) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL6129269 0.75 KMT2A (0.51) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL17805715 0.75 KMT2A (0.51) KMT2AFABP5FABP7EPHX2CA1

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-0680468-A1 SUBSTITUTED AMINO COMPOUNDS, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF THROMBOCYTE AGGREGATION HOECHST AKTIENGESELLSCHAFT (DE) 1995-11-08 EP disclosed