SCHEMBL27829384

SCHEMBL27829384

C[C@@H](Br)[CH]NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.52
▸ CASP3 P42574 4/20 0.49
▸ EPHX2 P34913 1/20 0.49
▸ MDM4 O15151 2/20 0.44
▸ TP53 P04637 2/20 0.44
▸ FABP5 Q01469 2/20 0.42
▸ FABP7 O15540 1/20 0.42

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
SCHEMBL29008608 0.82 KMT2A (0.56) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL28528205 0.82 KMT2A (0.58) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL20825600 0.80 KMT2A (0.56) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL2625076 0.79 KMT2A (0.58) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL13712371 0.79 KMT2A (0.58) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL8451314 0.78 KMT2A (0.57) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL23525155 0.77 KMT2A (0.53) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL6980324 0.77 KMT2A (0.53) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL13452269 0.77 CASP3 (0.56) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL5021152 0.77 CASP3 (0.56) KMT2ACASP3EPHX2MDM4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102066974-B Improved methods and compositions for F-18 labeling of proteins, peptides and other molecules IMMUNOMEDICS INC 2014-12-17 — — CN disclosed
CN-102066974-A Improved methods and compositions for F-18 labeling of proteins, peptides and other molecules IMMUNOMEDICS INC 2011-05-18 — — CN disclosed
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