SCHEMBL7517580

SCHEMBL7517580

NCCNC=CN(CCN)CCN

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL7517564 1.00 CYP2C9 (0.30) CYP2C9CYP2C19
SCHEMBL10463705 0.73 CA12 (0.44) CYP2C9CYP2C19
SCHEMBL10463706 0.73 CA12 (0.44) CYP2C9CYP2C19
SCHEMBL23716689 0.66
SCHEMBL15671159 0.66
SCHEMBL18509782 0.65 CHRM2 (0.32) CYP2C9
SCHEMBL4300963 0.64
SCHEMBL1548217 0.64
SCHEMBL1548215 0.64
SCHEMBL9791578 0.64

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-20020066542-A1 Transition metal complexes with polydentate ligands for enhancing the bleaching and delignifying effect of peroxo compounds DEGUSSA AG (DE) 2002-06-06 US disclosed