SCHEMBL14434179

SCHEMBL14434179

CC[S+]([O-])c1c(C#N)nn(-c2c(C)cc(C(F)(F)F)cc2Cl)c1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 20/20 0.51
GABRA2 P47869 19/20 0.51
GABRB2 P47870 19/20 0.51
GABRP O00591 18/20 0.51
GABRD O14764 18/20 0.51
GABRA1 P14867 18/20 0.51
GABRB1 P18505 18/20 0.51
GABRG2 P18507 18/20 0.51
GABRA5 P31644 18/20 0.51
GABRA3 P34903 18/20 0.51
GABRA4 P48169 18/20 0.51
GABRE P78334 18/20 0.51
GABRA6 Q16445 18/20 0.51
GABRG1 Q8N1C3 18/20 0.51
GABRG3 Q99928 18/20 0.51
GABRQ Q9UN88 18/20 0.51
NR1I2 O75469 1/20 0.51
LMNA P02545 1/20 0.51
CYP3A4 P08684 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
Ethiprole SCHEMBL27048 0.95 GABRP (0.56) GABRB3GABRA2GABRB2GABRPGABRD
Ethiprole SCHEMBL15756765 0.95 GABRP (0.56) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL12237528 0.92 GABRP (0.51) GABRB3GABRA2GABRB2GABRPGABRD
Ethiprole SCHEMBL23754762 0.91 GABRP (0.53) GABRB3GABRA2GABRB2GABRPGABRD
Fipronil SCHEMBL727927 0.90 GABRP (0.52) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL14094912 0.88 GABRP (0.53) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL14389621 0.87 GABRB3 (0.54) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL18165226 0.85 GABRP (0.57) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7673675 0.85 GABRB3 (0.47) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL15900786 0.84 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7262214-B2 1-N-arylpyrazole derivatives in prevention of arthropod-borne and mosquito-borne diseases MERIAL LIMITED (US) 2007-08-28 US disclosed