SCHEMBL172182

SCHEMBL172182

CCC(Br)COC(=O)C1=C(CBr)N(c2cccc(C(F)(F)F)c2)C(=O)N(C)[C@@H]1c1ccc(C#N)cc1S(C)(=O)=O

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 20/20 0.58

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
SCHEMBL125508 0.95 ELANE (0.59) ELANE
SCHEMBL3722875 0.86 ELANE (0.67) ELANE
SCHEMBL3719709 0.86 ELANE (0.67) ELANE
SCHEMBL15473086 0.85 ELANE (0.45) ELANE
SCHEMBL124738 0.83 ELANE (0.62) ELANE
SCHEMBL172183 0.79 ELANE (0.70) ELANE
SCHEMBL122839 0.79 ELANE (0.69) ELANE
SCHEMBL170099 0.78 ELANE (0.69) ELANE
SCHEMBL18086853 0.78 ELANE (0.69) ELANE
SCHEMBL18086836 0.78 ELANE (0.78) 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-2234985-B1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND USE THEREOF Bayer Pharma AG (DE) 2012-03-07 — — EP disclosed
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