SCHEMBL5202633

SCHEMBL5202633

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 17/20 0.40
GABRA2 P47869 16/20 0.40
GABRB2 P47870 16/20 0.40
GABRP O00591 14/20 0.40
GABRD O14764 14/20 0.40
GABRA1 P14867 14/20 0.40
GABRB1 P18505 14/20 0.40
GABRG2 P18507 14/20 0.40
GABRA5 P31644 14/20 0.40
GABRA3 P34903 14/20 0.40
GABRA4 P48169 14/20 0.40
GABRE P78334 14/20 0.40
GABRA6 Q16445 14/20 0.40
GABRG1 Q8N1C3 14/20 0.40
GABRG3 Q99928 14/20 0.40
GABRQ Q9UN88 14/20 0.40
BACE1 P56817 1/20 0.36
ATM Q13315 1/20 0.34
CDK4 P11802 1/20 0.33
CCND1 P24385 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
SCHEMBL5206943 0.88 GABRB3 (0.40) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL5206690 0.85 GABRB3 (0.39) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL5204154 0.82 GABRB3 (0.37) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL5202654 0.82 GABRB3 (0.39) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL25897 0.81 GABRP (0.51) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL5202713 0.81 GABRB3 (0.38) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL5203133 0.79 GABRB3 (0.35) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL5202647 0.76 GABRB3 (0.39) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7245422 0.75 GABRP (0.39) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL5202801 0.75 GABRP (0.45) 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 7 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
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 claimed
EP-0948486-B1 PESTICIDAL 1-ARYLPYRAZOLES MERIAL LTD (GB) 2007-11-28 EP disclosed
US-6403628-B1 APHIDICIDE WITH REDUCED TOXICITY TO MAMMALS RHONE-POULENC AGRO (FR) 2002-06-11 US 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