SCHEMBL5202713

SCHEMBL5202713

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 18/20 0.38
GABRA2 P47869 15/20 0.38
GABRB2 P47870 15/20 0.38
GABRP O00591 12/20 0.38
GABRD O14764 12/20 0.38
GABRA1 P14867 12/20 0.38
GABRB1 P18505 12/20 0.38
GABRG2 P18507 12/20 0.38
GABRA5 P31644 12/20 0.38
GABRA3 P34903 12/20 0.38
GABRA4 P48169 12/20 0.38
GABRE P78334 12/20 0.38
GABRA6 Q16445 12/20 0.38
GABRG1 Q8N1C3 12/20 0.38
GABRG3 Q99928 12/20 0.38
GABRQ Q9UN88 12/20 0.38
BACE1 P56817 1/20 0.34

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
SCHEMBL5202654 0.91 GABRB3 (0.39) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL5206690 0.88 GABRB3 (0.39) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL5203133 0.85 GABRB3 (0.35) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL5206943 0.84 GABRB3 (0.40) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL5204154 0.81 GABRB3 (0.37) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL5202633 0.81 GABRB3 (0.40) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL8584374 0.81 GABRB3 (0.37) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7028449 0.81 GABRB3 (0.37) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7028447 0.80 GABRB3 (0.36) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL25897 0.80 GABRP (0.51) 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 3 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