SCHEMBL3723159

SCHEMBL3723159

CCS(=O)(=O)c1cc(C#N)ccc1C1C(C#N)=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)N1C

nearest known ligand 0.87

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ELANE P08246 20/20 0.87
CYP3A4 P08684 1/20 0.71
CYP2C9 P11712 1/20 0.71

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
SCHEMBL121570 1.00 ELANE (0.87) ELANECYP3A4CYP2C9
SCHEMBL29709949 0.93 ELANE (1.00) ELANECYP3A4CYP2C9
SCHEMBL29359628 0.93 ELANE (1.00) ELANECYP3A4CYP2C9
SCHEMBL3663656 0.93 ELANE (1.00) ELANECYP3A4CYP2C9
SCHEMBL29443698 0.93 ELANE (1.00) ELANECYP3A4CYP2C9
SCHEMBL121431 0.93 ELANE (1.00) ELANECYP3A4CYP2C9
SCHEMBL29636980 0.93 ELANE (1.00) ELANECYP3A4CYP2C9
SCHEMBL121093 0.92 ELANE (0.74) ELANECYP3A4CYP2C9
SCHEMBL3717555 0.92 ELANE (0.74) ELANECYP3A4CYP2C9
SCHEMBL171818 0.92 ELANE (0.79) ELANECYP3A4CYP2C9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3373936-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES FOR TREATING CHRONIC WOUNDS Bayer Pharma Aktiengesellschaft (DE) 2018-09-19 EP disclosed
WO-2017081044-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES FOR TREATING CHRONIC WOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-05-18 WO disclosed
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