SCHEMBL1005283

SCHEMBL1005283

CC(C)(C)OC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 2/20 0.51
▸ GABRD O14764 2/20 0.51
▸ GABRA1 P14867 2/20 0.51
▸ GABRB1 P18505 2/20 0.51
▸ GABRG2 P18507 2/20 0.51
▸ GABRB3 P28472 2/20 0.51
▸ GABRA5 P31644 2/20 0.51
▸ GABRA3 P34903 2/20 0.51
▸ GABRA2 P47869 2/20 0.51
▸ GABRB2 P47870 2/20 0.51
▸ GABRA4 P48169 2/20 0.51
▸ GABRE P78334 2/20 0.51
▸ GABRA6 Q16445 2/20 0.51
▸ GABRG1 Q8N1C3 2/20 0.51
▸ GABRG3 Q99928 2/20 0.51
▸ GABRQ Q9UN88 2/20 0.51

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
SCHEMBL5764624 0.90 PTPRA (0.46) —
SCHEMBL27843765 0.87 GABRA1 (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL615804 0.85 NR4A2 (0.63) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28265772 0.83 GABRP (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5213756 0.81 NQO2 (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2841773 0.81 GABRP (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6991795 0.80 NR4A2 (0.51) —
SCHEMBL6986880 0.79 NR4A2 (0.72) GABRA1GABRB1GABRA3GABRB2
SCHEMBL6699986 0.79 NR4A2 (0.72) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1007089 0.79 NR4A2 (0.50) —

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-2268631-A1 AMINOPIPERIDINYL DERIVATIVES AND USES THEREOF F. Hoffmann-La Roche AG (CH) 2011-01-05 — — EP disclosed
WO-2009118254-A1 AMINOPIPERIDINYL DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2009-10-01 — — WO disclosed
CN-101472912-A Pyridine and pyrazine derivatives as MNK kinase inhibitors BIOVITRUM AB PUBL (SE) 2009-07-01 — — CN disclosed
WO-2004063336-A2 USES OF DEAZAPURINES FOR THE TREATMENT OF REPERFUSION INJURIES, OSTEOPOROSIS AND/OR BONE METASTASIS EISAI CO. LTD. (JP) 2004-07-29 — — WO disclosed
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