SCHEMBL7086689

SCHEMBL7086689

Nc1ccnn1-c1c(Cl)cc(C(F)(F)F)cc1Br

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 18/20 0.45
GABRA2 P47869 17/20 0.45
GABRB2 P47870 17/20 0.45
GABRP O00591 16/20 0.45
GABRD O14764 16/20 0.45
GABRA1 P14867 16/20 0.45
GABRB1 P18505 16/20 0.45
GABRG2 P18507 16/20 0.45
GABRA5 P31644 16/20 0.45
GABRA3 P34903 16/20 0.45
GABRA4 P48169 16/20 0.45
GABRE P78334 16/20 0.45
GABRA6 Q16445 16/20 0.45
GABRG1 Q8N1C3 16/20 0.45
GABRG3 Q99928 16/20 0.45
GABRQ Q9UN88 16/20 0.45

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
SCHEMBL9458856 0.90 GABRB3 (0.54) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL10400984 0.84 GABRB3 (0.46) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL10555780 0.75 ALDH1A1 (0.42) GABRB3
SCHEMBL7086206 0.75 ALDH1A1 (0.42) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7028502 0.75 GABRB3 (0.51) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9822871 0.74 POLB (0.37) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9526822 0.74 GABRA2 (0.46) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL4539912 0.73 KMT2A (0.50)
SCHEMBL28106579 0.72 GABRA2 (0.54) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL10389922 0.72 POLB (0.35) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003064384-A2 ENVIRONMENT FRIENDLY REAGENTS AND PROCESS FOR TRIFLUOROMETHYLSULFINYLATION OF ORGANIC COMPOUNDS VIRBAC S.A. (FR) 2003-08-07 WO claimed
EP-1331222-A1 Environment friendly reagents and process for halogenoalkylsulfinylation of organic compounds VIRBAC S.A. (FR) 2003-07-30 EP claimed
WO-2003064384-A2 ENVIRONMENT FRIENDLY REAGENTS AND PROCESS FOR TRIFLUOROMETHYLSULFINYLATION OF ORGANIC COMPOUNDS VIRBAC S.A. (FR) 2003-08-07 WO disclosed
EP-1331222-A1 Environment friendly reagents and process for halogenoalkylsulfinylation of organic compounds VIRBAC S.A. (FR) 2003-07-30 EP disclosed