SCHEMBL19962894

SCHEMBL19962894

C#CCn1c(=O)cc(C)c2ccc(NC(O)CN(CCN(CC(=O)O)CC(=O)O)[C@@H]3CCCC[C@H]3N(CCN(CC(=O)O)CC(=O)O)CC(=O)O)cc21

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.31

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
SCHEMBL19962831 0.88 POLB (0.36) KDM4E
SCHEMBL23153395 0.80 L3MBTL1 (0.41) —
SCHEMBL23130700 0.80 POLB (0.32) —
SCHEMBL23130699 0.77 MEN1 (0.33) —
SCHEMBL23153396 0.74 KAT2B (0.41) —
SCHEMBL23153394 0.65 L3MBTL1 (0.40) KDM4E
SCHEMBL23153397 0.64 CA1 (0.38) KDM4E
SCHEMBL15159301 0.62 CA1 (0.38) KDM4E
SCHEMBL23153405 0.61 POLB (0.42) KDM4E
SCHEMBL24732403 0.60 TDP1 (0.54) KDM4E

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
WO-2018048879-A1 METAL CHELATORS FOR IMAGING, THERAPEUTICS, AND BIOANALYSIS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-03-15 — — WO disclosed
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