SCHEMBL5591264

SCHEMBL5591264

N#CC(CNN)C(=O)NN

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.37
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL27745813 0.70
SCHEMBL18263407 0.69 CTSC (0.54)
SCHEMBL28613679 0.62 HIF1A (0.39) HIF1ACA1CA2
SCHEMBL6221887 0.60 HIF1A (0.41) HIF1ACA1CA2
SCHEMBL11141890 0.59 KDM4E (0.36)
SCHEMBL2639661 0.59
SCHEMBL8234550 0.58
SCHEMBL29956584 0.57
SCHEMBL5968403 0.56 MCL1 (0.40)
SCHEMBL16171889 0.56

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
WO-2007059116-A2 GELDANAMYCIN DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF ABRAXIS BIOSCIENCE, INC. (US) 2007-05-24 WO disclosed