SCHEMBL123639

SCHEMBL123639

CC1=C(OC(=O)O)[C@H](c2ccc(C#N)cc2S(C)(=O)=O)N(S(C)(=O)=O)C(=O)N1c1cccc(C(F)(F)F)c1

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 20/20 0.66

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
SCHEMBL3722084 1.00 ELANE (0.66) ELANE
SCHEMBL124801 0.91 ELANE (0.75) ELANE
SCHEMBL3722083 0.89 ELANE (0.70) ELANE
SCHEMBL122654 0.89 ELANE (0.70) ELANE
SCHEMBL124642 0.88 ELANE (0.59) ELANE
SCHEMBL3721387 0.88 ELANE (0.59) ELANE
SCHEMBL123593 0.87 ELANE (0.83) ELANE
SCHEMBL18839888 0.87 ELANE (0.83) ELANE
SCHEMBL122466 0.85 ELANE (0.77) ELANE
SCHEMBL172165 0.83 ELANE (0.63) 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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