SCHEMBL9768341

SCHEMBL9768341

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 17/20 0.40
GABRB2 P47870 17/20 0.40
GABRB3 P28472 15/20 0.40
GABRP O00591 11/20 0.40
GABRD O14764 11/20 0.40
GABRA1 P14867 11/20 0.40
GABRB1 P18505 11/20 0.40
GABRG2 P18507 11/20 0.40
GABRA5 P31644 11/20 0.40
GABRA3 P34903 11/20 0.40
GABRA4 P48169 11/20 0.40
GABRE P78334 11/20 0.40
GABRA6 Q16445 11/20 0.40
GABRG1 Q8N1C3 11/20 0.40
GABRG3 Q99928 11/20 0.40
GABRQ Q9UN88 11/20 0.40
NR1I2 O75469 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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 0.83 GABRB3 (0.44) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL9213839 0.83 GABRB3 (0.41) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL9768229 0.81 GABRA2 (0.41) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL9768155 0.81 GABRA2 (0.39) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL9219663 0.79 GABRB3 (0.44) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL9217807 0.79 GABRA2 (0.41) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL9768087 0.79 P2RX7 (0.43) GABRA2GABRB2GABRB3GABRPGABRD
Methane SCHEMBL27278091 0.78 GABRA2 (0.40) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL9218478 0.78 GABRA2 (0.41) GABRA2GABRB2GABRB3GABRPGABRD
Bromide SCHEMBL9768264 0.77 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5064844-A Miticides SCHERING AGROCHEMICALS LIMITED (GB) 1991-11-12 US disclosed