SCHEMBL9768229

SCHEMBL9768229

CCSCc1cnn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 13/20 0.41
GABRB2 P47870 13/20 0.41
GABRB3 P28472 16/20 0.40
GABRP O00591 5/20 0.40
GABRD O14764 5/20 0.40
GABRA1 P14867 5/20 0.40
GABRB1 P18505 5/20 0.40
GABRG2 P18507 5/20 0.40
GABRA5 P31644 5/20 0.40
GABRA3 P34903 5/20 0.40
GABRA4 P48169 5/20 0.40
GABRE P78334 5/20 0.40
GABRA6 Q16445 5/20 0.40
GABRG1 Q8N1C3 5/20 0.40
GABRG3 Q99928 5/20 0.40
GABRQ Q9UN88 5/20 0.40

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
SCHEMBL9394102 0.87 GABRB3 (0.44) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL9768155 0.82 GABRA2 (0.39) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL9768341 0.81 GABRA2 (0.40) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL9768087 0.80 P2RX7 (0.43) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL9219663 0.80 GABRB3 (0.44) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL9217807 0.80 GABRA2 (0.41) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL9768114 0.79 GABRA2 (0.40) GABRA2GABRB2GABRB3GABRPGABRD
Methane SCHEMBL27278091 0.79 GABRA2 (0.40) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL9218478 0.79 GABRA2 (0.41) GABRA2GABRB2GABRB3GABRPGABRD
Bromide SCHEMBL9768264 0.78 IDO1 (0.41) GABRA2GABRB2GABRB3GABRPGABRD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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