SCHEMBL8062385

SCHEMBL8062385

Nc1ccc2cnn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 16/20 0.44
GABRB2 P47870 16/20 0.44
GABRB3 P28472 16/20 0.44
GABRP O00591 15/20 0.44
GABRD O14764 15/20 0.44
GABRA1 P14867 15/20 0.44
GABRB1 P18505 15/20 0.44
GABRG2 P18507 15/20 0.44
GABRA5 P31644 15/20 0.44
GABRA3 P34903 15/20 0.44
GABRA4 P48169 15/20 0.44
GABRE P78334 15/20 0.44
GABRA6 Q16445 15/20 0.44
GABRG1 Q8N1C3 15/20 0.44
GABRG3 Q99928 15/20 0.44
GABRQ Q9UN88 15/20 0.44
CYP11B2 P19099 1/20 0.43
ACHE P22303 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL8059782 0.84 GABRB3 (0.46) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL9210384 0.84 CYP11B2 (0.45) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL8434365 0.83 MAPT (0.52) TP53MAPTSMN1; SMN2
SCHEMBL8062287 0.82 GABRB3 (0.51) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL8047202 0.81 NPBWR1 (0.48) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL8062391 0.81 CYP11B2 (0.40) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL8064336 0.81 CYP11B2 (0.40) GABRA2GABRB2GABRB3GABRPGABRD
Carbon Tetrachloride SCHEMBL27438815 0.80 GABRA2 (0.45) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL9206083 0.79 MAPT (0.40) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL8064545 0.79 GABRB3 (0.43) GABRA2GABRB2GABRB3GABRPGABRD

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
CN-1056834-C Novel arylindazoles and their use as herbicides ZENECA LTD (GB) 2000-09-27 CN disclosed
EP-0630367-B1 NOVEL ARYLINDAZOLES AND THEIR USE AS HERBICIDES ZENECA LTD (GB) 2000-07-05 EP disclosed
US-5928998-A PRE- AND POSTEMERGENCE HERBICIDES ZENECA LIMITED (GB) 1999-07-27 US disclosed
US-5444038-A Arylindazoles and their use as herbicides ZENECA LIMITED (GB) 1995-08-22 US disclosed
EP-0544218-B1 Arylindazole derivatives and their use SUMITOMO CHEMICAL CO (JP) 1995-07-26 EP disclosed
EP-0630367-A1 NOVEL ARYLINDAZOLES AND THEIR USE AS HERBICIDES ZENECA LIMITED (GB) 1994-12-28 EP disclosed
US-5266556-A Herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-11-30 US disclosed
WO-1993018008-A1 NOVEL ARYLINDAZOLES AND THEIR USE AS HERBICIDES ZENECA LIMITED (GB) 1993-09-16 WO disclosed
EP-0544218-A1 Arylindazole derivatives and their use SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1993-06-02 EP disclosed