SCHEMBL7450462

SCHEMBL7450462

Cc1c(NC(=O)OC(C)(C)C)ccc2nc(NCCC(C(=O)N(C)CCN(C)C)S(C)(=O)=O)oc(=O)c12

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.52
CTRB1 P17538 4/20 0.52
LCK P06239 1/20 0.31

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
SCHEMBL7450454 0.84 ELANE (0.56) ELANECTRB1LCK
SCHEMBL7441628 0.83 ELANE (0.65) ELANECTRB1LCK
SCHEMBL6505460 0.82 ELANE (0.38) ELANECTRB1
SCHEMBL7449565 0.80 ELANE (0.58) ELANECTRB1LCK
SCHEMBL7446829 0.79 ELANE (0.36) ELANECTRB1
SCHEMBL6637600 0.77 ELANE (0.57) ELANECTRB1
SCHEMBL6634622 0.76 CTRB1 (0.56) ELANECTRB1
SCHEMBL7442939 0.76 ELANE (0.54) ELANECTRB1LCK
SCHEMBL6402812 0.75 ELANE (0.56) ELANECTRB1LCK
SCHEMBL6637344 0.75 ELANE (0.51) ELANECTRB1

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
WO-1996037485-A1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS G.D. SEARLE & CO. (US) 1996-11-28 WO disclosed