SCHEMBL7082496

SCHEMBL7082496

Nc1c([S+]([O-])C(F)(F)F)cnn1-c1c(Cl)cc(OC(F)(F)F)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 10/20 0.35
GABRD O14764 10/20 0.35
GABRA1 P14867 10/20 0.35
GABRB1 P18505 10/20 0.35
GABRG2 P18507 10/20 0.35
GABRB3 P28472 10/20 0.35
GABRA5 P31644 10/20 0.35
GABRA3 P34903 10/20 0.35
GABRA2 P47869 10/20 0.35
GABRB2 P47870 10/20 0.35
GABRA4 P48169 10/20 0.35
GABRE P78334 10/20 0.35
GABRA6 Q16445 10/20 0.35
GABRG1 Q8N1C3 10/20 0.35
GABRG3 Q99928 10/20 0.35
GABRQ Q9UN88 10/20 0.35
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
RECQL P46063 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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 0.84 GABRA2 (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL26584 0.84 GABRA2 (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10582418 0.81 GABRA2 (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8183314 0.78
SCHEMBL7086725 0.76 GABRA2 (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10582758 0.75 GABRA2 (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6055887 0.74 GABRP (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7023678 0.72 GABRP (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10511104 0.72 MAPT (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7086533 0.71 GABRA2 (0.38) 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 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