Sugi Predict

Sugi Predict / Compounds / SCHEMBL3716383

SCHEMBL3716383

SCHEMBL3716383

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 20/20 1.00
▸ CYP2C9 P11712 2/20 0.72
▸ CYP2C19 P33261 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
SCHEMBL123590 1.00 ELANE (1.00) ELANECYP2C9CYP2C19
SCHEMBL586624 0.93 ELANE (0.87) ELANECYP2C9CYP2C19
SCHEMBL2117342 0.93 ELANE (0.87) ELANECYP2C9CYP2C19
SCHEMBL2116319 0.93 ELANE (0.87) ELANECYP2C9CYP2C19
SCHEMBL15866528 0.93 ELANE (0.87) ELANECYP2C9CYP2C19
SCHEMBL586974 0.92 ELANE (0.85) ELANECYP2C9CYP2C19
SCHEMBL586579 0.92 ELANE (0.85) ELANECYP2C9CYP2C19
SCHEMBL2118000 0.92 ELANE (0.85) ELANECYP2C9CYP2C19
SCHEMBL124884 0.91 ELANE (0.84) ELANECYP2C9CYP2C19
SCHEMBL122610 0.91 ELANE (0.84) ELANECYP2C9CYP2C19

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