SCHEMBL7045663

SCHEMBL7045663

CCOC(OCC)c1c([S+]([O-])C(F)(F)F)c(C#N)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 20/20 0.44
GABRA2 P47869 14/20 0.44
GABRB2 P47870 14/20 0.44
GABRP O00591 11/20 0.44
GABRD O14764 11/20 0.44
GABRA1 P14867 11/20 0.44
GABRB1 P18505 11/20 0.44
GABRG2 P18507 11/20 0.44
GABRA5 P31644 11/20 0.44
GABRA3 P34903 11/20 0.44
GABRA4 P48169 11/20 0.44
GABRE P78334 11/20 0.44
GABRA6 Q16445 11/20 0.44
GABRG1 Q8N1C3 11/20 0.44
GABRG3 Q99928 11/20 0.44
GABRQ Q9UN88 11/20 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
SCHEMBL7047513 0.89 GABRP (0.46) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL2773005 0.85 GABRB3 (0.41) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9190853 0.85 GABRB3 (0.44) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7047098 0.82 GABRB3 (0.45) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL3817517 0.80 GABRB3 (0.41) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL3817523 0.80 GABRB3 (0.41) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL2835106 0.80 GABRB3 (0.48) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9190436 0.80 GABRB3 (0.47) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL5201997 0.79 GABRB3 (0.49) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9195756 0.79 GABRB3 (0.42) 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 10 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
US-5922885-A FOR AGRICULTURAL CROPS RHONE-POULENC INC. (US) 1999-07-13 US 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