SCHEMBL7047042

SCHEMBL7047042

N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(CO)c1[S+]([O-])C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 20/20 0.46
GABRA2 P47869 13/20 0.46
GABRB2 P47870 13/20 0.46
GABRP O00591 10/20 0.46
GABRD O14764 10/20 0.46
GABRA1 P14867 10/20 0.46
GABRB1 P18505 10/20 0.46
GABRG2 P18507 10/20 0.46
GABRA5 P31644 10/20 0.46
GABRA3 P34903 10/20 0.46
GABRA4 P48169 10/20 0.46
GABRE P78334 10/20 0.46
GABRA6 Q16445 10/20 0.46
GABRG1 Q8N1C3 10/20 0.46
GABRG3 Q99928 10/20 0.46
GABRQ Q9UN88 10/20 0.46
NR1I2 O75469 1/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL2840061 0.90 GABRB3 (0.47) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL4669520 0.85 GABRB3 (0.48) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7044231 0.85 GABRB3 (0.42) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL2841665 0.84 GABRB3 (0.41) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL5370578 0.84 GABRB3 (0.44) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL5201997 0.84 GABRB3 (0.49) GABRB3GABRA2GABRB2GABRPGABRD
Fipronil SCHEMBL15088 0.83 GABRP (0.59) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL6055919 0.83 GABRB3 (0.48) GABRB3GABRA2GABRB2GABRPGABRD
Fipronil SCHEMBL44222 0.83 GABRP (0.59) GABRB3GABRA2GABRB2GABRPGABRD
Fipronil SCHEMBL2469515 0.83 GABRP (0.59) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0780378-B1 New 1-aryl pyrazole derivatives and their use as pesticides BAYER CROPSCIENCE SA (FR) 2003-04-09 EP claimed
EP-0780378-A1 New 1-aryl pyrazole derivatives and their use as pesticides RHONE-POULENC AGROCHIMIE (FR) 1997-06-25 EP claimed
EP-0780378-B1 New 1-aryl pyrazole derivatives and their use as pesticides BAYER CROPSCIENCE SA (FR) 2003-04-09 EP disclosed
US-6395906-B1 PESTICIDES RHONE-POULENC INC. 2002-05-28 US disclosed
US-6124339-A INSECTICIDES AND NEMATICIDES RHONE-POULENC INC. (US) 2000-09-26 US disclosed
US-5994386-A INSECTICIDES, NEMATOCIDES RHONE-POULENC INC. (US) 1999-11-30 US disclosed
US-5922885-A FOR AGRICULTURAL CROPS RHONE-POULENC INC. (US) 1999-07-13 US disclosed
US-5817688-A FOR AGRICULTURAL CROPS; INSECTICIDES, NEMATOCIDES RHONE-POULENC INC. (US) 1998-10-06 US disclosed
EP-0780378-A1 New 1-aryl pyrazole derivatives and their use as pesticides RHONE-POULENC AGROCHIMIE (FR) 1997-06-25 EP disclosed