SCHEMBL14647603

SCHEMBL14647603

CNCc1ccc(C2C(C#N)=C(C)N(c3cccc(C(F)(F)F)c3)c3nc(NC(=O)OC)nn32)c(S(C)(=O)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ELANE P08246 20/20 0.48

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
SCHEMBL7907030 0.90 ELANE (0.60) ELANE
SCHEMBL15462630 0.90 ELANE (0.60) ELANE
SCHEMBL14632124 0.84 ELANE (0.63) ELANE
SCHEMBL2898595 0.81 ELANE (0.57) ELANE
SCHEMBL2742348 0.81 ELANE (0.60) ELANE
SCHEMBL231671 0.81 ELANE (0.59) ELANE
SCHEMBL7903448 0.77 ELANE (0.57) ELANE
SCHEMBL7901176 0.75 ELANE (0.52) ELANE
SCHEMBL7904620 0.75 ELANE (0.67) ELANE
SCHEMBL230975 0.75 ELANE (0.67) ELANE

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
EP-2385945-B1 TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD BAYER IP GMBH (DE) 2013-01-23 EP disclosed