SCHEMBL8203969

SCHEMBL8203969

C=Cc1cn([C@@H]2O[C@H](C)C(O)C2O)c(=O)nc1NC(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
ADK P55263 9/20 0.45
P2RY6 Q15077 4/20 0.42
P2RY14 Q15391 2/20 0.40
NT5E P21589 1/20 0.40
NAAA Q02083 1/20 0.37
ITGB3 P05106 2/20 0.36
ITGAV P06756 2/20 0.36

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
SCHEMBL3822937 1.00 LMNA (0.53) LMNAADKP2RY6P2RY14NT5E
SCHEMBL8197007 0.91 LMNA (0.56) LMNAADKP2RY6P2RY14NT5E
SCHEMBL8197013 0.91 LMNA (0.56) LMNAADKP2RY6P2RY14NT5E
SCHEMBL7204443 0.91 LMNA (0.49) LMNAADKP2RY6P2RY14NT5E
SCHEMBL8193244 0.91 LMNA (0.49) LMNAADKP2RY6P2RY14NT5E
SCHEMBL8203611 0.87 LMNA (0.60) LMNAADKP2RY6
SCHEMBL8203607 0.87 LMNA (0.60) LMNAADKP2RY6
SCHEMBL9222549 0.86 LMNA (0.70) LMNAADKP2RY6P2RY14NT5E
SCHEMBL9218284 0.86 LMNA (0.70) LMNAADKP2RY6P2RY14NT5E
SCHEMBL3817143 0.86 LMNA (0.39) LMNAADKP2RY6NAAAITGB3

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-6114520-A ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 2000-09-05 US disclosed