SCHEMBL28914767

SCHEMBL28914767

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

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
FABP5 Q01469 3/20 0.47
FABP7 O15540 2/20 0.47
EPHX2 P34913 1/20 0.45
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CASP3 P42574 2/20 0.40
MDM4 O15151 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL28778329 0.87 KMT2A (0.47) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL27861227 0.84 KMT2A (0.52) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL27804598 0.82 KMT2A (0.51) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL8320763 0.81 KMT2A (0.47) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL6706765 0.78 KMT2A (0.52) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL768971 0.78 KMT2A (0.52) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL27547 0.77 KMT2A (0.55) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL29349891 0.77 KMT2A (0.55) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL15981181 0.77 KMT2A (0.58) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL44676 0.77 KMT2A (0.58) 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
CN-112673015-A CXCR 4-targeted diagnostic and therapeutic agents with reduced species selectivity 慕尼黑工业大学 2021-04-16 CN disclosed