SCHEMBL6709382

SCHEMBL6709382

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)[C@@H](O)[C@H]1O

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HLCS P50747 3/20 0.77
HINT1 P49773 1/20 0.72
PRKACA P17612 2/20 0.56
NNMT P40261 1/20 0.53
GSK3A P49840 2/20 0.53
RPS6KA3 P51812 2/20 0.53
MAPK14 Q16539 2/20 0.53
EHMT1 Q9H9B1 1/20 0.53

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
SCHEMBL29652603 0.90 HLCS (0.82) HLCSHINT1
SCHEMBL14204782 0.90 HLCS (0.82) HLCSHINT1
SCHEMBL14230061 0.90 HLCS (0.82) HLCSHINT1
SCHEMBL29419645 0.90 HLCS (0.82) HLCSHINT1
SCHEMBL20418955 0.90 HLCS (0.63) HLCSHINT1
SCHEMBL14204798 0.89 HLCS (0.79) HLCSHINT1
SCHEMBL14230477 0.89 HLCS (0.79) HLCSHINT1
SCHEMBL14204795 0.89 HLCS (0.79) HLCSHINT1
SCHEMBL14230472 0.89 HLCS (0.79) HLCSHINT1
SCHEMBL14361007 0.88 HLCS (0.62) HLCSHINT1

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
US-20040241649-A1 RNA CONTAINING COENZYMES, BIOTIN, OR FLUOROPHORES, AND METHODS FOR THEIR PREPARATION AND USE UNIVERSITY OF SOUTHERN MISSISSIPPI (US) 2004-12-02 US claimed