SCHEMBL4386785

SCHEMBL4386785

CCOC(=O)C1=C[N+]([O-])(CC)c2ccc(I)cc2C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K2 P36507 1/20 0.35
MAP2K1 Q02750 1/20 0.35
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRA4 P48169 2/20 0.34
GABRA6 Q16445 2/20 0.34
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRE P78334 1/20 0.32
GABRG1 Q8N1C3 1/20 0.32
GABRG3 Q99928 1/20 0.32
GABRQ Q9UN88 1/20 0.32
FGFR1 P11362 2/20 0.32
CHEK1 O14757 1/20 0.32

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
SCHEMBL5059324 0.71 SMAD3 (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL15920138 0.68 GABRA1 (0.41) MAP2K2MAP2K1GABRA1GABRG2GABRB3
SCHEMBL13242363 0.65 MAP2K2 (0.38) MAP2K2MAP2K1GABRA1GABRG2GABRB3
SCHEMBL13242294 0.64 MAP2K2 (0.34) MAP2K2MAP2K1GABRA1GABRG2GABRB3
SCHEMBL7574850 0.64 SMAD3 (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4626816 0.62 TSHR (0.60) MAP2K2MAP2K1GABRA1GABRG2GABRB3
SCHEMBL1207860 0.62 CA12 (0.56) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL9541553 0.62 ALDH1A1 (0.60) MAP2K2MAP2K1GABRA1GABRG2GABRB3
SCHEMBL1840091 0.61 TSHR (0.53) MAP2K2MAP2K1GABRA1GABRG2GABRB3
SCHEMBL4149582 0.61 TSHR (0.53) MAP2K2MAP2K1GABRA1GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1628990-B1 NOVEL 14 AND 15 MEMBERED RING COMPOUNDS GLAXO GROUP LTD (GB) 2009-12-02 EP disclosed
US-20070141276-A1 Novel 14 and 15 membered ring compounds GLAXO GROUP LIMITED (GB) 2007-06-21 US disclosed
EP-1628990-A1 NOVEL 14 AND 15 MEMBERED RING COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-03-01 EP disclosed
WO-2004101588-A1 NOVEL 14 AND 15 MEMBERED RING COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-11-25 WO disclosed