SCHEMBL6054604

SCHEMBL6054604

COCc1cc(N)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)n1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 20/20 0.59
GABRA2 P47869 18/20 0.59
GABRB2 P47870 18/20 0.59
GABRP O00591 16/20 0.59
GABRD O14764 16/20 0.59
GABRA1 P14867 16/20 0.59
GABRB1 P18505 16/20 0.59
GABRG2 P18507 16/20 0.59
GABRA5 P31644 16/20 0.59
GABRA3 P34903 16/20 0.59
GABRA4 P48169 16/20 0.59
GABRE P78334 16/20 0.59
GABRA6 Q16445 16/20 0.59
GABRG1 Q8N1C3 16/20 0.59
GABRG3 Q99928 16/20 0.59
GABRQ Q9UN88 16/20 0.59

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
SCHEMBL7683653 0.93 GABRB3 (0.51) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL6054612 0.82 GABRB3 (0.59) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL27528349 0.80 GABRB3 (0.56) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL6054602 0.80 GABRB3 (0.63) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL6054603 0.80 GABRB3 (0.39) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL6054599 0.79 GABRB3 (0.55) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL6168749 0.77 GABRB3 (0.68) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7711657 0.77 GABRB3 (0.67) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL6054617 0.77 GABRP (0.34) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL6962955 0.76 GABRB3 (0.65) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1293501-B1 Substituted 1-aryl-pyrazoles and their use as pesticides BAYER CROPSCIENCE AG (DE) 2006-05-10 EP disclosed
EP-0659745-B1 Substituted 1-aryl pyrazoles BAYER CROPSCIENCE AG (DE) 2005-07-27 EP disclosed
EP-1293501-A1 Substituted 1-aryl-pyrazoles and their use as pesticides Bayer CropScience AG (DE) 2003-03-19 EP disclosed
US-RE37495-E1 Substituted 1-arylpyrazoles BAYER AKTIENGESELLSCHAFT (DE) 2002-01-01 US disclosed
CN-1061037-C Substituted 1-arylpyrazoles BAYER AG (DE) 2001-01-24 CN disclosed
US-5580843-A INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-12-03 US disclosed
CN-1107842-A Substituted 1-arylpyrazoles BAYER AG (DE) 1995-09-06 CN disclosed
EP-0659745-A1 Substituted 1-aryl pyrazoles BAYER AG (DE) 1995-06-28 EP disclosed