SCHEMBL3719890

SCHEMBL3719890

C=CCOC(=O)OC1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)N(C)C1c1ccc(C#N)cc1S(C)(=O)=O

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
SCHEMBL123964 1.00 ELANE (0.66) ELANE
SCHEMBL3721387 0.92 ELANE (0.59) ELANE
SCHEMBL124642 0.92 ELANE (0.59) ELANE
SCHEMBL18086853 0.89 ELANE (0.69) ELANE
SCHEMBL170099 0.89 ELANE (0.69) ELANE
SCHEMBL124801 0.87 ELANE (0.75) ELANE
SCHEMBL124739 0.87 ELANE (0.68) ELANE
SCHEMBL122060 0.87 ELANE (0.68) ELANE
SCHEMBL171781 0.83 ELANE (0.61) ELANE
SCHEMBL121526 0.81 ELANE (0.59) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2234985-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2010-10-06 — — EP disclosed
WO-2009080199-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-02 — — WO disclosed
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