SCHEMBL3699996

SCHEMBL3699996

CCNNC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.64
EPHX2 P34913 1/20 0.56
CASP3 P42574 3/20 0.50
FABP5 Q01469 3/20 0.46
FABP7 O15540 2/20 0.46

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
SCHEMBL15893670 0.86 KMT2A (0.59) KMT2AEPHX2CASP3FABP5FABP7
SCHEMBL16724664 0.85 KMT2A (0.57) KMT2AEPHX2CASP3
SCHEMBL13613350 0.85 KMT2A (0.72) KMT2AEPHX2CASP3FABP5FABP7
SCHEMBL402111 0.85 KMT2A (0.68) KMT2AEPHX2CASP3FABP5FABP7
SCHEMBL1770756 0.85 KMT2A (0.61) KMT2AEPHX2CASP3FABP5FABP7
SCHEMBL30733150 0.85 KMT2A (0.61) KMT2AEPHX2CASP3FABP5FABP7
SCHEMBL14756767 0.85 KMT2A (0.60) KMT2AEPHX2CASP3FABP5FABP7
SCHEMBL7134566 0.84 KMT2A (0.63) KMT2AEPHX2CASP3FABP5FABP7
SCHEMBL7113144 0.84 KMT2A (0.75) KMT2AEPHX2CASP3FABP5FABP7
Hydrochloric Acid SCHEMBL28736763 0.84 KMT2A (0.60) KMT2AEPHX2CASP3FABP5FABP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023173121-A1 PHENYL MALEIMIDE LINKER AGENTS FIREFLY BIO, INC. (US) 2023-09-14 WO disclosed
EP-2195288-A2 SMALL MOLECULE BRADYKININ B1 RECEPTOR ANTAGONISTS Jerini AG (DE) 2010-06-16 EP disclosed
WO-2009036996-A2 SMALL MOLECULE BRADYKININ B1 RECEPTOR ANTAGONISTS JERINI AG (DE) 2009-03-26 WO disclosed