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Sugi Predict / Compounds / SCHEMBL9011673

SCHEMBL9011673

SCHEMBL9011673

CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1=O)C(=O)C(F)(F)F

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 20/20 0.83
▸ CTRC Q99895 1/20 0.66

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
SCHEMBL7284369 0.91 ELANE (1.00) ELANECTRC
SCHEMBL7276755 0.90 ELANE (0.77) ELANECTRC
SCHEMBL7285137 0.89 ELANE (0.90) ELANECTRC
SCHEMBL7276963 0.88 ELANE (0.64) ELANE
Hydrochloric Acid SCHEMBL9011726 0.88 ELANE (0.87) ELANECTRC
SCHEMBL7276753 0.87 ELANE (0.85) ELANECTRC
SCHEMBL7273489 0.84 ELANE (1.00) ELANECTRC
SCHEMBL7285642 0.84 ELANE (1.00) ELANECTRC
SCHEMBL7283164 0.83 ELANE (0.87) ELANECTRC
SCHEMBL7284256 0.82 ELANE (0.79) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5521179-A Heterocyclic amides ZENECA LIMITED (GB) 1996-05-28 — — US disclosed