SCHEMBL20193301

SCHEMBL20193301

NOCC(=O)NCCNC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.59
▸ EPHX2 P34913 1/20 0.48
▸ FABP7 O15540 2/20 0.41
▸ FABP5 Q01469 2/20 0.41
▸ CASP3 P42574 2/20 0.41
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40

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
SCHEMBL31490563 1.00 KMT2A (0.59) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL5579212 0.93 KMT2A (0.55) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL20193277 0.87 KMT2A (0.59) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL16790448 0.85 KMT2A (0.63) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL29617446 0.85 KMT2A (0.63) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL20464122 0.85 KMT2A (0.63) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL20710654 0.85 KMT2A (0.57) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL15147193 0.85 KMT2A (0.57) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL16790447 0.84 KMT2A (0.62) KMT2AEPHX2FABP7FABP5CASP3
Hydrochloric Acid SCHEMBL29617452 0.84 KMT2A (0.62) 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
US-9982017-B2 Synthetic apelin mimetics for the treatment of heart failure NOVARTIS AG (CH) 2018-05-29 — — US disclosed
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