SCHEMBL7046472

SCHEMBL7046472

CC(=O)c1c(SC(F)(F)F)c(C#N)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 17/20 0.48
GABRA2 P47869 16/20 0.48
GABRB2 P47870 16/20 0.48
GABRP O00591 15/20 0.48
GABRD O14764 15/20 0.48
GABRA1 P14867 15/20 0.48
GABRB1 P18505 15/20 0.48
GABRG2 P18507 15/20 0.48
GABRA5 P31644 15/20 0.48
GABRA3 P34903 15/20 0.48
GABRA4 P48169 15/20 0.48
GABRE P78334 15/20 0.48
GABRA6 Q16445 15/20 0.48
GABRG1 Q8N1C3 15/20 0.48
GABRG3 Q99928 15/20 0.48
GABRQ Q9UN88 15/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NR1I2 O75469 1/20 0.48
LMNA P02545 1/20 0.48
CYP3A4 P08684 1/20 0.48

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
SCHEMBL6055759 0.84 GABRB3 (0.46) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL6055918 0.84 GABRB3 (0.53) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9010475 0.83 GABRB3 (0.45) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL3824608 0.83 GABRB3 (0.50) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL2835183 0.83 GABRB3 (0.50) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL4669871 0.83 GABRP (0.45) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL6055701 0.83 GABRP (0.45) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL6748568 0.82 GABRB3 (0.44) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9354076 0.81 GABRB3 (0.53) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7044186 0.81 GABRB3 (0.47) 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 11 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-5817688-A FOR AGRICULTURAL CROPS; INSECTICIDES, NEMATOCIDES RHONE-POULENC INC. (US) 1998-10-06 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-6180798-B1 CHEMICAL INTERMEDIATES FOR INSECTICIDES AND PESTICIDES RHONE-POULENC INC. 2001-01-30 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