SCHEMBL8617009

SCHEMBL8617009

Cc1c(S(=O)(=O)c2ccccc2)c(N)cc2nc(N[C@@H](Cc3ccccc3)C(=O)O)oc(=O)c12

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ELANE P08246 13/20 0.48
CTRB1 P17538 2/20 0.39
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
PPARG P37231 1/20 0.37
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
CA2 P00918 2/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL6500714 0.82 ELANE (0.58) ELANECTRB1MEN1ALDH1A1KMT2A
SCHEMBL8617012 0.79 CTRB1 (0.59) ELANECTRB1POLBMEN1ALDH1A1
SCHEMBL6499915 0.75 ELANE (0.62) ELANECTRB1
SCHEMBL27493723 0.75 ELANE (0.62) ELANECTRB1
SCHEMBL8700258 0.72 ELANE (0.82) ELANE
SCHEMBL8702543 0.72 ELANE (0.82) ELANE
SCHEMBL6499604 0.71 CTRB1 (0.56) ELANECTRB1MEN1ALDH1A1KMT2A
SCHEMBL9693870 0.71 ELANE (0.46) ELANE
SCHEMBL8699698 0.71 ELANE (0.59) ELANECTRB1
SCHEMBL6496779 0.71 CTRB1 (0.56) ELANECTRB1MEN1ALDH1A1KMT2A

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
EP-0828721-A1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS G.D. SEARLE & CO. (US) 1998-03-18 EP claimed