SCHEMBL586579

SCHEMBL586579

CC1=C(C#N)C(c2ccc(C#N)cc2S(N)(=O)=O)NC(=O)N1c1cccc(C(F)(F)F)c1

nearest known ligand 0.85

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ELANE P08246 20/20 0.85
CYP2C9 P11712 2/20 0.70
CYP2C19 P33261 1/20 0.61
CYP3A4 P08684 1/20 0.55

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
SCHEMBL2118000 1.00 ELANE (0.85) ELANECYP2C9CYP2C19CYP3A4
SCHEMBL3716383 0.92 ELANE (1.00) ELANECYP2C9CYP2C19
SCHEMBL123590 0.92 ELANE (1.00) ELANECYP2C9CYP2C19
SCHEMBL586974 0.91 ELANE (0.85) ELANECYP2C9CYP2C19CYP3A4
SCHEMBL2116319 0.90 ELANE (0.87) ELANECYP2C9CYP2C19CYP3A4
SCHEMBL586624 0.90 ELANE (0.87) ELANECYP2C9CYP2C19CYP3A4
SCHEMBL122610 0.90 ELANE (0.84) ELANECYP2C9CYP2C19
SCHEMBL2117589 0.90 ELANE (0.84) ELANECYP2C9CYP2C19CYP3A4
SCHEMBL124884 0.90 ELANE (0.84) ELANECYP2C9CYP2C19
SCHEMBL15866528 0.90 ELANE (0.87) ELANECYP2C9CYP2C19CYP3A4

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-2417112-A1 SULFONIC AMIDE AND SULFOXIMINE-SUBSTITUTED DIARYL-DIHYDROPYRIMIDINONES AND USAGE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2012-02-15 EP disclosed
WO-2010115548-A1 SULFONIC AMIDE AND SULFOXIMINE-SUBSTITUTED DIARYL-DIHYDROPYRIMIDINONES AND USAGE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-10-14 WO disclosed