SCHEMBL7086725

SCHEMBL7086725

Nc1c([S+]([O-])C(F)(F)F)cnn1-c1c(Cl)cc(C(F)(F)F)cc1Br

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 20/20 0.45
GABRB2 P47870 20/20 0.45
GABRP O00591 19/20 0.45
GABRD O14764 19/20 0.45
GABRA1 P14867 19/20 0.45
GABRB1 P18505 19/20 0.45
GABRG2 P18507 19/20 0.45
GABRB3 P28472 19/20 0.45
GABRA5 P31644 19/20 0.45
GABRA3 P34903 19/20 0.45
GABRA4 P48169 19/20 0.45
GABRE P78334 19/20 0.45
GABRA6 Q16445 19/20 0.45
GABRG1 Q8N1C3 19/20 0.45
GABRG3 Q99928 19/20 0.45
GABRQ Q9UN88 19/20 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
SCHEMBL7199555 0.92 GABRA2 (0.51) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL26584 0.92 GABRA2 (0.51) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL8183755 0.85 GABRB3 (0.42) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL10582758 0.83 GABRA2 (0.47) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL7086533 0.79 GABRA2 (0.38) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL10582418 0.77 GABRA2 (0.36) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL28106579 0.77 GABRA2 (0.54) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL7082496 0.76 GABRP (0.35) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL10542967 0.75 MAPT (0.34) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL10542227 0.73 GABRB3 (0.39) GABRA2GABRB2GABRPGABRDGABRA1

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-1331222-A1 Environment friendly reagents and process for halogenoalkylsulfinylation of organic compounds VIRBAC S.A. (FR) 2003-07-30 EP disclosed