SCHEMBL4427641

SCHEMBL4427641

CC[S+]([O-])c1c(C#N)nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1NC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 20/20 0.44
GABRA2 P47869 13/20 0.44
GABRB2 P47870 13/20 0.44
GABRP O00591 8/20 0.44
GABRD O14764 8/20 0.44
GABRA1 P14867 8/20 0.44
GABRB1 P18505 8/20 0.44
GABRG2 P18507 8/20 0.44
GABRA5 P31644 8/20 0.44
GABRA3 P34903 8/20 0.44
GABRA4 P48169 8/20 0.44
GABRE P78334 8/20 0.44
GABRA6 Q16445 8/20 0.44
GABRG1 Q8N1C3 8/20 0.44
GABRG3 Q99928 8/20 0.44
GABRQ Q9UN88 8/20 0.44
NR1I2 O75469 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL8172564 0.91 GABRB3 (0.44) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL14648758 0.88 GABRB3 (0.47) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7025320 0.88 GABRB3 (0.47) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL711103 0.87 GABRB3 (0.46) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7029973 0.86 GABRB3 (0.41) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7023325 0.86 GABRB3 (0.41) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7673675 0.86 GABRB3 (0.47) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7025672 0.86 GABRB3 (0.41) GABRB3GABRA2GABRB2GABRPGABRD
Ethiprole SCHEMBL15756765 0.85 GABRP (0.56) GABRB3GABRA2GABRB2GABRPGABRD
Ethiprole SCHEMBL27048 0.85 GABRP (0.56) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0806895-B2 INSECTICIDAL COMBINATIONS INCLUDING AN INSECTICIDE FROM THE CHLORONICOTINYL FAMILY AND AN INSECTICIDE HAVING A PYRAZOLE, PYRROLE OR PHENYLIMIDAZOLE GROUP BAYER CROPSCIENCE SA (FR) 2009-07-15 EP claimed
EP-0806895-B1 INSECTICIDAL COMBINATIONS INCLUDING AN INSECTICIDE FROM THE CHLORONICOTINYL FAMILY AND AN INSECTICIDE HAVING A PYRAZOLE, PYRROLE OR PHENYLIMIDAZOLE GROUP RHONE POULENC AGROCHIMIE (FR) 2000-04-12 EP claimed
US-5883112-A INSECTICIDES RHONE-POULENC INC. (US) 1999-03-16 US claimed
US-5814652-A SYSTEMIC INSECTICIDES RHONE-POULENC INC. (US) 1998-09-29 US claimed
EP-0806895-B2 INSECTICIDAL COMBINATIONS INCLUDING AN INSECTICIDE FROM THE CHLORONICOTINYL FAMILY AND AN INSECTICIDE HAVING A PYRAZOLE, PYRROLE OR PHENYLIMIDAZOLE GROUP BAYER CROPSCIENCE SA (FR) 2009-07-15 EP disclosed
US-6077860-A AN ARTHOPODICIDE CONSISTS OF IMIDACLOPRID AND FIPRONIL RHONE-POULENC AGROCHIMIE (FR) 2000-06-20 US disclosed
EP-0806895-B1 INSECTICIDAL COMBINATIONS INCLUDING AN INSECTICIDE FROM THE CHLORONICOTINYL FAMILY AND AN INSECTICIDE HAVING A PYRAZOLE, PYRROLE OR PHENYLIMIDAZOLE GROUP RHONE POULENC AGROCHIMIE (FR) 2000-04-12 EP disclosed
US-6015910-A SYSTEMIC INSECTICIDES WHICH ARE NONTOXIC TO MAMMALS AND AQUATIC ORGANISMS RHONE-POULENC INC. (US) 2000-01-18 US disclosed
US-5952358-A A SYNERGISTIC ARTHROPODICIDALLY EFFECTIVE AMOUNT OF ACETAMIPRID AND FIPRONIL; A PLANT SEED COATING RHONE-POULENC AGROCHIMIE (FR) 1999-09-14 US disclosed
US-5883112-A INSECTICIDES RHONE-POULENC INC. (US) 1999-03-16 US disclosed
US-5814652-A SYSTEMIC INSECTICIDES RHONE-POULENC INC. (US) 1998-09-29 US disclosed
WO-1997022593-A1 NOVEL 5-AMINO-3-CYANO-4-ETHYLSULFINYL-1-PHENYL-PYRAZOLE COMPOUNDS AND THEIR USE AS PESTICIDES RHONE-POULENC AGROCHIMIE (FR) 1997-06-26 WO disclosed