SCHEMBL8549203

SCHEMBL8549203

Cc1cccc2oc(N[C@@H](Cc3cc(I)c(O)c(I)c3)C(=O)O)nc(=O)c12

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.41
ELANE P08246 9/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
ALB P02768 1/20 0.39
IL2 P60568 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
CTRB1 P17538 3/20 0.35
PPARG P37231 3/20 0.35
FOLH1 Q04609 1/20 0.34
SIRT5 Q9NXA8 1/20 0.34

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
SCHEMBL8545895 0.87 ALDH1A1 (0.50) ELANEMEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL6505915 0.85 ELANE (0.56) ELANECTRB1
SCHEMBL8549933 0.78 ELANE (0.44) ELANECTRB1
SCHEMBL8545872 0.77 ALDH1A1 (0.47) ELANEMEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL6593098 0.76 ELANE (0.68) ELANECTRB1
SCHEMBL8551382 0.76 ELANE (0.47) ELANEALDH1A1CTRB1
SCHEMBL8545278 0.76 ELANE (0.47) ELANEALDH1A1CTRB1
SCHEMBL8545277 0.75 MAPT (0.59) MEN1ALDH1A1KMT2A
SCHEMBL8546638 0.74 ELANE (0.45) ELANEALDH1A1KMT2ACTRB1
SCHEMBL6499915 0.72 ELANE (0.62) 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
EP-0828721-A1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS G.D. SEARLE & CO. (US) 1998-03-18 EP claimed