SCHEMBL21828992

SCHEMBL21828992

Cc1c(-c2ccnn2-c2ccc(C#N)cc2CCN(C)C)n(C(=O)O)c(=O)n1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ELANE P08246 15/20 0.47
CTSK P43235 3/20 0.41
CYP2C9 P11712 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL19688326 0.90 ELANE (0.46) ELANECTSK
SCHEMBL19639828 0.88 ELANE (0.44) ELANECTSK
SCHEMBL17819346 0.88 ELANE (0.51) ELANECTSKCYP2C9MEN1KMT2A
SCHEMBL17819329 0.87 ELANE (0.50) ELANECTSKCYP2C9MEN1KMT2A
SCHEMBL17819304 0.85 ELANE (0.62) ELANECTSKCYP2C9MEN1KMT2A
Benzene SCHEMBL19639783 0.83 ELANE (0.47) ELANECYP2C9CYP3A4
Benzene SCHEMBL19639826 0.82 ELANE (0.46) ELANECYP2C9
SCHEMBL19639791 0.82 ELANE (0.46) ELANECTSKCYP2C9CYP3A4
SCHEMBL19639767 0.82 ELANE (0.47) ELANECYP2C9CYP3A4
SCHEMBL19639749 0.81 ELANE (0.47) 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-3464269-B1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF A HNE RELATED DISEASE CHIESI FARM SPA (IT) 2020-04-01 EP disclosed