SCHEMBL5202647

SCHEMBL5202647

CC(=O)c1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N(C)C(N)=O)c1[S+](C)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 18/20 0.39
GABRA2 P47869 17/20 0.39
GABRB2 P47870 17/20 0.39
GABRP O00591 15/20 0.39
GABRD O14764 15/20 0.39
GABRA1 P14867 15/20 0.39
GABRB1 P18505 15/20 0.39
GABRG2 P18507 15/20 0.39
GABRA5 P31644 15/20 0.39
GABRA3 P34903 15/20 0.39
GABRA4 P48169 15/20 0.39
GABRE P78334 15/20 0.39
GABRA6 Q16445 15/20 0.39
GABRG1 Q8N1C3 15/20 0.39
GABRG3 Q99928 15/20 0.39
GABRQ Q9UN88 15/20 0.39
BACE1 P56817 1/20 0.36
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
NR1I2 O75469 1/20 0.33

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
SCHEMBL25897 0.83 GABRP (0.51) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL5206943 0.79 GABRB3 (0.40) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL5202654 0.78 GABRB3 (0.39) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL5202713 0.77 GABRB3 (0.38) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL5202801 0.77 GABRP (0.45) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL5206690 0.77 GABRB3 (0.39) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL5202633 0.76 GABRB3 (0.40) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL20089290 0.76 GABRP (0.53) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL5204154 0.74 GABRB3 (0.37) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL5203598 0.74 GABRP (0.48) 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-0948486-B1 PESTICIDAL 1-ARYLPYRAZOLES MERIAL LTD (GB) 2007-11-28 EP claimed
EP-0948486-B1 PESTICIDAL 1-ARYLPYRAZOLES MERIAL LTD (GB) 2007-11-28 EP disclosed
US-6087387-A 3-ACETYL-1-PHENYL-PYRAZOLE DERIVATIVES INSECTICIDE USEFUL IN THE CONTROL OF INSECTS, NEMATODES OR HELMINTHS RHONE-POULENC AGRO (FR) 2000-07-11 US disclosed
EP-0948486-A1 PESTICIDAL 1-ARYLPYRAZOLES RHONE-POULENC AGROCHIMIE (FR) 1999-10-13 EP disclosed
WO-1998028277-A1 PESTICIDAL 1-ARYLPYRAZOLES RHONE-POULENC AGROCHIMIE (FR) 1998-07-02 WO disclosed