SCHEMBL25899392

SCHEMBL25899392

NC(C=O)(CO)CCSC[C@H]1OC(n2cnc3c(NC(=O)CCCCCNC(=O)CCCCC4SC[C@@H]5NC(=O)N[C@H]45)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HINT1 P49773 1/20 0.53
HLCS P50747 3/20 0.48
SLC29A1 Q99808 2/20 0.46
DOT1L Q8TEK3 5/20 0.44

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
SCHEMBL21553884 0.88 DOT1L (0.59) HINT1DOT1L
SCHEMBL21553970 0.85 DOT1L (0.58) HINT1DOT1L
SCHEMBL21553891 0.83 DOT1L (0.61) HINT1DOT1L
SCHEMBL25899485 0.83 DOT1L (0.61) HINT1DOT1L
SCHEMBL21528351 0.80 HINT1 (0.55) HINT1HLCSDOT1L
SCHEMBL30520257 0.80 HINT1 (0.63) HINT1HLCSDOT1L
SCHEMBL18119941 0.80 HINT1 (0.63) HINT1HLCSDOT1L
SCHEMBL21528355 0.80 HINT1 (0.63) HINT1HLCSDOT1L
SCHEMBL1101052 0.79 HINT1 (0.63) HINT1HLCSSLC29A1
SCHEMBL17666086 0.79 HINT1 (0.77) HINT1HLCS

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-4219518-A2 BIOCONJUGATES OF HETEROCYCLIC COMPOUNDS Taizhou Huifeng Hetai Biotechnology Co. Ltd (CN) 2023-08-02 EP disclosed