SCHEMBL16634710

SCHEMBL16634710

O=C(O)c1ccc(-n2c(=O)[nH]c3ccc(F)cc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.54
AURKA O14965 2/20 0.48
PGR P06401 1/20 0.46
GABRP O00591 2/20 0.45
GABRD O14764 2/20 0.45
GABRA1 P14867 2/20 0.45
GABRB1 P18505 2/20 0.45
GABRG2 P18507 2/20 0.45
GABRB3 P28472 2/20 0.45
GABRA5 P31644 2/20 0.45
GABRA3 P34903 2/20 0.45
GABRA2 P47869 2/20 0.45
GABRB2 P47870 2/20 0.45
GABRA4 P48169 2/20 0.45
GABRE P78334 2/20 0.45
GABRA6 Q16445 2/20 0.45
GABRG1 Q8N1C3 2/20 0.45
GABRG3 Q99928 2/20 0.45
GABRQ Q9UN88 2/20 0.45
B3GNT2 Q9NY97 2/20 0.44

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
SCHEMBL11356818 0.87 DAO (0.60) DAOPGRGABRPGABRDGABRA1
SCHEMBL702708 0.83 AURKA (0.54) DAOAURKALMNASMN1; SMN2TSHR
SCHEMBL16634744 0.80 L3MBTL1 (0.55) DAOAURKALMNASMN1; SMN2KDM4E
SCHEMBL25430362 0.79 PARP1 (0.48) DAOAURKALMNASMN1; SMN2TSHR
SCHEMBL30441384 0.79 AURKA (0.58) DAOAURKAPGRB3GNT2LMNA
SCHEMBL11344894 0.78 DAO (0.50) DAOPGRGABRPGABRDGABRA1
SCHEMBL4252448 0.76 SMN1; SMN2 (0.66) LMNASMN1; SMN2FEN1KDM4EALDH1A1
SCHEMBL3831898 0.75 AKT2 (0.51) DAOAURKAPGRGABRPGABRD
SCHEMBL8947417 0.73 DAO (0.63) DAOPGRGABRPGABRDGABRA1
SCHEMBL6840233 0.73 AURKA (0.52) DAOAURKAB3GNT2LMNASMN1; SMN2

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
WO-2015052675-A1 SUBSTITUTED DIHYDRO-BENZIMIDAZOLE COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2015-04-16 WO disclosed