SCHEMBL30104070

SCHEMBL30104070

NCCCC[C@H](NC(=O)[C@@H](N)CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 19/20 0.56
▸ DNMT1 P26358 1/20 0.56

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
SCHEMBL30805686 0.81 KIF11 (0.59) KIF11DNMT1
SCHEMBL30598202 0.81 KIF11 (0.53) KIF11DNMT1
SCHEMBL21084901 0.80 KIF11 (0.60) KIF11DNMT1
SCHEMBL21084902 0.80 KIF11 (0.60) KIF11DNMT1
SCHEMBL21084900 0.80 KIF11 (0.60) KIF11DNMT1
SCHEMBL21084899 0.80 KIF11 (0.60) KIF11DNMT1
SCHEMBL21084926 0.80 KIF11 (0.60) KIF11DNMT1
SCHEMBL31280127 0.79 KIF11 (0.53) KIF11DNMT1
SCHEMBL28540087 0.79 ERAP2 (0.65) —
SCHEMBL29372662 0.79 ERAP2 (0.65) —

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-4097120-A1 ISOTOPICALLY LABELLED SELECTIVE CXCR4 BINDING PEPTIDE CONJUGATE AND METHODS FOR MAKING AND USING THE SAME Mainline Biosciences LLC (US) 2022-12-07 — — EP disclosed
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