SCHEMBL4754820

SCHEMBL4754820

CCOC(=O)c1cnc(N)cc1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.62
GABRD O14764 2/20 0.62
GABRA1 P14867 2/20 0.62
GABRB1 P18505 2/20 0.62
GABRG2 P18507 2/20 0.62
GABRB3 P28472 2/20 0.62
GABRA5 P31644 2/20 0.62
GABRA3 P34903 2/20 0.62
GABRA2 P47869 2/20 0.62
GABRB2 P47870 2/20 0.62
GABRA4 P48169 2/20 0.62
GABRE P78334 2/20 0.62
GABRA6 Q16445 2/20 0.62
GABRG1 Q8N1C3 2/20 0.62
GABRG3 Q99928 2/20 0.62
GABRQ Q9UN88 2/20 0.62
HSP90AA1 P07900 1/20 0.52
NOS3 P29474 1/20 0.51
NOS1 P29475 1/20 0.51
NOS2 P35228 1/20 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
SCHEMBL17298927 0.84 KDM4E (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2012842 0.83 GABRP (0.66) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28545318 0.81 DPP4 (0.52) HSP90AA1ALDH1A1MEN1KMT2ANPC1
SCHEMBL18916810 0.81 JMJD6 (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13982866 0.80 DGAT1 (0.49) HSP90AA1ALDH1A1MEN1KMT2ANPC1
SCHEMBL5377628 0.78 RAB9A (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2013192 0.77 GABRP (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30964860 0.76 ALDH1A1 (0.44) HSP90AA1ALDH1A1MEN1KMT2ANPC1
SCHEMBL16302043 0.76 TSHR (0.61) ALDH1A1MEN1KMT2ANPC1KDM4E
SCHEMBL20929663 0.75 GABRP (0.60) GABRPGABRDGABRA1GABRB1GABRG2

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
WO-2008157273-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-24 WO disclosed
WO-2008157273-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-24 WO disclosed