SCHEMBL7715115

SCHEMBL7715115

CCOC(=O)Cn1c(Cl)cnc(NCCc2cccc[n+]2[O-])c1=O

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F2 P00734 19/20 0.65
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 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
SCHEMBL7369034 0.89 F2 (0.60) F2
SCHEMBL7364614 0.86 F2 (0.68) F2
SCHEMBL5855403 0.82 F2 (0.71) F2
SCHEMBL7364554 0.82 F2 (0.57) F2
SCHEMBL7370934 0.79 F2 (1.00) F2
SCHEMBL7363810 0.77 F2 (0.78) F2
SCHEMBL7369397 0.77 F2 (1.00) F2
SCHEMBL23460612 0.76 LMNA (0.41) F2KDM4EALDH1A1
SCHEMBL23460733 0.75 F2 (0.39) F2KDM4EALDH1A1
SCHEMBL23460615 0.74 F2 (0.61) F2

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-6387911-B1 Pyrazinone thrombin inhibitors MERCK & CO., INC. 2002-05-14 US disclosed