SCHEMBL3722875

SCHEMBL3722875

CN1C(=O)N(c2cccc(C(F)(F)F)c2)C(CBr)=C(C(=O)O)C1c1ccc(C#N)cc1S(C)(=O)=O

nearest known ligand 0.67

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 20/20 0.67

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
SCHEMBL3719709 1.00 ELANE (0.67) ELANE
SCHEMBL124800 0.88 ELANE (0.79) ELANE
SCHEMBL18086980 0.88 ELANE (0.79) ELANE
SCHEMBL3726634 0.88 ELANE (0.79) ELANE
SCHEMBL125508 0.87 ELANE (0.59) ELANE
SCHEMBL172182 0.86 ELANE (0.58) ELANE
SCHEMBL121271 0.85 ELANE (0.71) ELANE
SCHEMBL18086836 0.83 ELANE (0.78) ELANE
SCHEMBL124801 0.81 ELANE (0.75) ELANE
SCHEMBL3663656 0.81 ELANE (1.00) 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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