SCHEMBL8545686

SCHEMBL8545686

CS(C)=Nc1c([S+](C)[O-])c(C#N)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 20/20 0.47
GABRA2 P47869 15/20 0.47
GABRB2 P47870 15/20 0.47
GABRP O00591 12/20 0.47
GABRD O14764 12/20 0.47
GABRA1 P14867 12/20 0.47
GABRB1 P18505 12/20 0.47
GABRG2 P18507 12/20 0.47
GABRA5 P31644 12/20 0.47
GABRA3 P34903 12/20 0.47
GABRA4 P48169 12/20 0.47
GABRE P78334 12/20 0.47
GABRA6 Q16445 12/20 0.47
GABRG1 Q8N1C3 12/20 0.47
GABRG3 Q99928 12/20 0.47
GABRQ Q9UN88 12/20 0.47
NR1I2 O75469 1/20 0.47
LMNA P02545 1/20 0.47
CYP3A4 P08684 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL8681395 0.89 GABRB3 (0.45) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7027650 0.83 GABRB3 (0.49) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL41972 0.82 GABRP (0.59) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7027739 0.81 GABRB3 (0.41) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7027736 0.81 GABRB3 (0.41) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL13134024 0.81 GABRB3 (0.47) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7025320 0.81 GABRB3 (0.47) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9354077 0.78 GABRB3 (0.47) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL8546923 0.78 GABRB3 (0.47) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL5207402 0.78 GABRB3 (0.44) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0839809-A1 Pesticidal 1-arylpyrazole-5-sulfinilimine derivatives RHONE-POULENC AGROCHIMIE (FR) 1998-05-06 EP disclosed