SCHEMBL27506246

SCHEMBL27506246

CN(C(=O)OC(C)(C)C)c1ccc(C(=O)O)nn1.[NaH]

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 1/20 0.36
▸ BRD4 O60885 1/20 0.32
▸ GPR119 Q8TDV5 1/20 0.31
▸ IRAK4 Q9NWZ3 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ USP30 Q70CQ3 1/20 0.30
▸ HTR2C P28335 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL4039230 0.84 PAX8 (0.35) PAX8BRD4IRAK4
SCHEMBL4040622 0.81 CYP1A2 (0.41) PAX8ALDH1A1LMNAKMT2A
SCHEMBL3484770 0.79 KMT2A (0.50) PAX8BRD4HTR2CSLC6A4LMNA
SCHEMBL31709504 0.79 PAX8 (0.37) PAX8BRD4LMNAKMT2A
SCHEMBL12675260 0.79 PAX8 (0.37) PAX8BRD4L3MBTL1LMNAKMT2A
SCHEMBL12853542 0.77 KDM4E (0.46) PAX8BRD4IRAK4KDM4EL3MBTL1
SCHEMBL691501 0.73 HCAR3 (0.51) PAX8GPR119KDM4EL3MBTL1ALDH1A1
SCHEMBL7790318 0.73 PAX8 (0.43) PAX8BRD4GPR119KDM4EL3MBTL1
SCHEMBL11508947 0.73 NPC1 (0.46) KDM4EL3MBTL1ALDH1A1LMNAKMT2A
SCHEMBL30802108 0.71 PAX8 (0.37) PAX8BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1210267-C 2-hydroxy-mutilin carbamate derivatives for antibacterial use SMITHKLINE BEECHAM PLC (GB) 2005-07-13 — — CN disclosed
CN-1427827-A 2-Hydroxy-mutilin carbamate derivatives for antibacterial use SMITHKLINE BEECHAM PLC (GB) 2003-07-02 — — CN disclosed
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