SCHEMBL9703978

SCHEMBL9703978

CCOC(=O)c1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(Br)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 13/20 0.55
GABRA2 P47869 8/20 0.55
GABRB2 P47870 8/20 0.55
GABRP O00591 4/20 0.55
GABRD O14764 4/20 0.55
GABRA1 P14867 4/20 0.55
GABRB1 P18505 4/20 0.55
GABRG2 P18507 4/20 0.55
GABRA5 P31644 4/20 0.55
GABRA3 P34903 4/20 0.55
GABRA4 P48169 4/20 0.55
GABRE P78334 4/20 0.55
GABRA6 Q16445 4/20 0.55
GABRG1 Q8N1C3 4/20 0.55
GABRG3 Q99928 4/20 0.55
GABRQ Q9UN88 4/20 0.55
MRGPRX4 Q96LA9 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL9704114 0.87 GABRB3 (0.53) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9705750 0.79 GABRB3 (0.54) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9209147 0.79 GABRB3 (0.53) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7958610 0.78 GABRB3 (0.50) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9704249 0.77 NPC1 (0.57) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9217228 0.77 GABRB3 (0.53) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7707141 0.77 GABRB3 (0.62) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7711355 0.77 GABRP (0.64) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7711652 0.77 GABRP (0.62) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7815001 0.77 GABRB3 (0.62) GABRB3GABRA2GABRB2GABRPGABRD

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-1992013451-A1 IMIDAZOLE PESTICIDES SCHERING AGROCHEMICALS LIMITED (GB) 1992-08-20 WO disclosed