SCHEMBL4448223

SCHEMBL4448223

N#Cc1ccc([C@@H]2C(C(=O)O)=C(CBr)N(c3cccc(C(F)(F)F)c3)C(=O)N2CC(N)=O)cc1

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 20/20 0.70
▸ CYP2C9 P11712 1/20 0.63

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
SCHEMBL1764001 0.91 ELANE (0.64) ELANECYP2C9
SCHEMBL4461711 0.90 ELANE (0.68) ELANECYP2C9
SCHEMBL1134160 0.89 ELANE (0.83) ELANECYP2C9
SCHEMBL4317225 0.88 ELANE (0.82) ELANECYP2C9
SCHEMBL14899952 0.88 ELANE (0.82) ELANECYP2C9
SCHEMBL3482560 0.84 ELANE (0.85) ELANECYP2C9
SCHEMBL14899930 0.83 ELANE (0.70) ELANECYP2C9
SCHEMBL3482667 0.82 ELANE (1.00) ELANECYP2C9
SCHEMBL14899953 0.81 ELANE (0.90) ELANECYP2C9
SCHEMBL1134183 0.80 ELANE (0.71) ELANECYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580800-B2 1,4-diaryl-pyrimidopyridazine-2,5-diones and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-12 — — US disclosed
EP-2285809-B1 1,4-DIARYL-PYRIMIDOPYRIDAZINE-2,5-DIONES AND THEIR USE BAYER IP GMBH (DE) 2013-03-27 — — EP disclosed
WO-2009135599-A1 1,4-DIARYL-PYRIMIDOPYRIDAZINE-2,5-DIONES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-11-12 — — WO disclosed
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