SCHEMBL9394102

SCHEMBL9394102

CSCc1cnn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 18/20 0.44
GABRA2 P47869 17/20 0.44
GABRB2 P47870 17/20 0.44
GABRP O00591 13/20 0.44
GABRD O14764 13/20 0.44
GABRA1 P14867 13/20 0.44
GABRB1 P18505 13/20 0.44
GABRG2 P18507 13/20 0.44
GABRA5 P31644 13/20 0.44
GABRA3 P34903 13/20 0.44
GABRA4 P48169 13/20 0.44
GABRE P78334 13/20 0.44
GABRA6 Q16445 13/20 0.44
GABRG1 Q8N1C3 13/20 0.44
GABRG3 Q99928 13/20 0.44
GABRQ Q9UN88 13/20 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
SCHEMBL9768229 0.87 GABRA2 (0.41) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9768155 0.84 GABRA2 (0.39) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9218478 0.83 GABRA2 (0.41) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9768341 0.83 GABRA2 (0.40) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9768087 0.82 P2RX7 (0.43) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9219663 0.82 GABRB3 (0.44) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9217807 0.82 GABRA2 (0.41) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9768114 0.81 GABRA2 (0.40) GABRB3GABRA2GABRB2GABRPGABRD
Methane SCHEMBL27278091 0.81 GABRA2 (0.40) GABRB3GABRA2GABRB2GABRPGABRD
Bromide SCHEMBL9768264 0.80 IDO1 (0.41) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0527314-B1 Process for the preparation of 2-aryl-2H-1,2,3-triazoles LONZA AG (CH) 1994-09-07 EP disclosed
US-5258523-A Process for the production of 2-aryl-2H-1,2,3-triazoles LONZA LTD. (CH) 1993-11-02 US disclosed
EP-0527314-A1 Process for the preparation of 2-aryl-2H-1,2,3-triazoles LONZA AG (CH) 1993-02-17 EP disclosed
US-5064844-A Miticides SCHERING AGROCHEMICALS LIMITED (GB) 1991-11-12 US disclosed
EP-0350237-A2 Triazole insecticides SCHERING AGROCHEMICALS LIMITED (GB) 1990-01-10 EP disclosed