Sugi Predict

Sugi Predict / Compounds / SCHEMBL175662

SCHEMBL175662

SCHEMBL175662

CC1=C(C#N)[C@@H](c2ccc(C#N)cc2S(C)(=O)=O)N(C(=O)N2CCC[C@@H](N(C(=O)O)C(C)(C)C)C2)C(=O)N1c1cccc(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 20/20 0.60

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
SCHEMBL7999190 0.90 ELANE (0.63) ELANE
SCHEMBL124560 0.89 ELANE (0.65) ELANE
SCHEMBL123683 0.89 ELANE (0.62) ELANE
SCHEMBL300109 0.89 ELANE (0.64) ELANE
SCHEMBL3718280 0.89 ELANE (0.64) ELANE
SCHEMBL1155460 0.88 ELANE (0.62) ELANE
SCHEMBL16455660 0.88 ELANE (0.65) ELANE
SCHEMBL8002324 0.88 ELANE (0.62) ELANE
SCHEMBL3724940 0.87 ELANE (0.67) ELANE
SCHEMBL124799 0.87 ELANE (0.67) 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
US-8288402-B2 4-(4-cyano-2-thioaryl)dihydropyrimidinones and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-16 — — US disclosed
EP-2234985-B1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND USE THEREOF Bayer Pharma AG (DE) 2012-03-07 — — EP disclosed