SCHEMBL6040385

SCHEMBL6040385

COCN(C(=O)OC(C)(C)C)c1ccc(N)nc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB1 P18505 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
GABRB2 P47870 2/20 0.34
GABRA4 P48169 2/20 0.34
GABRE P78334 2/20 0.34
GABRA6 Q16445 2/20 0.34
GABRG1 Q8N1C3 2/20 0.34
GABRG3 Q99928 2/20 0.34
GABRQ Q9UN88 2/20 0.34
F2 P00734 4/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33

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
SCHEMBL1794002 0.87 F2 (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1097728 0.86 MLYCD (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1099319 0.84 F2 (0.37) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL18291311 0.81 HDAC1 (0.34) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1097834 0.79 PAX8 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL22544386 0.76 PIK3CA (0.38) ALOX5APFEN1
SCHEMBL1099493 0.76 USP30 (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5187166 0.76 KDM4E (0.37) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL22544369 0.74 PKM (0.38) ALOX5APFEN1
SCHEMBL28037370 0.74 ALOX5AP (0.47) ALOX5APFEN1KDM4E

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-1420784-B1 COMPOUNDS EFFECTING GLUCOKINASE ASTRAZENECA AB (SE) 2006-04-19 EP disclosed