SCHEMBL8047202

SCHEMBL8047202

COc1ccc2cnn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 3/20 0.48
MCHR1 Q99705 2/20 0.48
GABRB3 P28472 9/20 0.47
GABRA2 P47869 8/20 0.47
GABRB2 P47870 8/20 0.47
GABRP O00591 6/20 0.47
GABRD O14764 6/20 0.47
GABRA1 P14867 6/20 0.47
GABRB1 P18505 6/20 0.47
GABRG2 P18507 6/20 0.47
GABRA5 P31644 6/20 0.47
GABRA3 P34903 6/20 0.47
GABRA4 P48169 6/20 0.47
GABRE P78334 6/20 0.47
GABRA6 Q16445 6/20 0.47
GABRG1 Q8N1C3 6/20 0.47
GABRG3 Q99928 6/20 0.47
GABRQ Q9UN88 6/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 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
SCHEMBL9207794 0.85 MAPK1 (0.44) NPBWR1MCHR1GABRB3GABRA2GABRB2
SCHEMBL8059782 0.83 GABRB3 (0.46) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL8047216 0.82 KMT2A (0.42) NPBWR1MCHR1GABRB3GABRA2GABRB2
SCHEMBL8433371 0.82 GABRB3 (0.41) NPBWR1MCHR1GABRB3GABRA2GABRB2
SCHEMBL9252563 0.81 GABRB3 (0.42) NPBWR1MCHR1GABRB3GABRA2GABRB2
SCHEMBL8062287 0.81 GABRB3 (0.51) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL8062385 0.81 GABRA2 (0.44) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9210384 0.81 CYP11B2 (0.45) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL8433369 0.79 SMN1; SMN2 (0.41) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL8064557 0.78 GABRB3 (0.42) NPBWR1MCHR1GABRB3GABRA2GABRB2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-1993018008-A1 NOVEL ARYLINDAZOLES AND THEIR USE AS HERBICIDES ZENECA LIMITED (GB) 1993-09-16 WO disclosed