SCHEMBL6429176

SCHEMBL6429176

NC(=O)CC[C@H](NC(=O)CBr)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
CA2 P00918 5/20 0.46
CA1 P00915 4/20 0.46
FOLH1 Q04609 4/20 0.46
RIMKLA Q8IXN7 1/20 0.46
NAALAD2 Q9Y3Q0 1/20 0.46
ALOX15 P16050 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
GNPAT O15228 1/20 0.44
NOD1 Q9Y239 4/20 0.42
MMP2 P08253 2/20 0.40
MMP9 P14780 2/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL6429173 1.00 KMT2A (0.48) KMT2ACA2CA1FOLH1RIMKLA
SCHEMBL7047615 0.86 GNPAT (0.56) KMT2ACA2CA1FOLH1RIMKLA
SCHEMBL6427494 0.85 FOLH1 (0.64) FOLH1RIMKLANAALAD2GNPAT
SCHEMBL6427496 0.85 FOLH1 (0.64) FOLH1RIMKLANAALAD2GNPAT
SCHEMBL31318372 0.83 FOLH1 (0.52) KMT2ACA2CA1FOLH1RIMKLA
SCHEMBL4813201 0.83 KMT2A (0.49) KMT2ACA2CA1FOLH1RIMKLA
SCHEMBL4813214 0.83 KMT2A (0.49) KMT2ACA2CA1FOLH1RIMKLA
SCHEMBL268801 0.83 KMT2A (0.49) KMT2ACA2CA1FOLH1RIMKLA
SCHEMBL150160 0.83 KMT2A (0.49) KMT2ACA2CA1FOLH1RIMKLA
SCHEMBL7046045 0.83 NOD1 (0.60) KMT2ACA2CA1FOLH1RIMKLA

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
EP-1212056-B1 METHODS AND COMPOSITIONS FOR BISUBSTRATE INHIBITORS OF ACETYLTRANSFERASES US GOV HEALTH & HUMAN SERV (US) 2005-12-07 EP disclosed