SCHEMBL16119263

SCHEMBL16119263

O=C(NCCI)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.66
EPHX2 P34913 1/20 0.56
FABP7 O15540 2/20 0.46
FABP5 Q01469 2/20 0.46
CASP3 P42574 2/20 0.45
OPRD1 P41143 1/20 0.44

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
SCHEMBL4423683 0.92 KMT2A (0.70) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL28617673 0.90 KMT2A (0.67) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL16790447 0.87 KMT2A (0.62) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL19450607 0.87 KMT2A (0.64) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL793384 0.87 KMT2A (0.85) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL163534 0.87 KMT2A (0.67) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL730784 0.85 KMT2A (0.66) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL6375583 0.85 KMT2A (0.66) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL1157227 0.85 KMT2A (0.66) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL92796 0.85 KMT2A (0.66) KMT2AEPHX2FABP7FABP5CASP3

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
WO-2014153101-A2 PEPTIDE AND PEPTIDE MIMETIC BINDING ANTAGONISTS OF POLO-LIKE KINASE 1 POLO BOX DOMAIN AND METHODS OF USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2014-09-25 WO disclosed