SCHEMBL8435773

SCHEMBL8435773

COC(=O)c1cc2c(cnn2-c2c(Cl)cc(C(F)(F)F)cc2Cl)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 3/20 0.43
GABRD O14764 3/20 0.43
GABRA1 P14867 3/20 0.43
GABRB1 P18505 3/20 0.43
GABRG2 P18507 3/20 0.43
GABRB3 P28472 3/20 0.43
GABRA5 P31644 3/20 0.43
GABRA3 P34903 3/20 0.43
GABRA2 P47869 3/20 0.43
GABRB2 P47870 3/20 0.43
GABRA4 P48169 3/20 0.43
GABRE P78334 3/20 0.43
GABRA6 Q16445 3/20 0.43
GABRG1 Q8N1C3 3/20 0.43
GABRG3 Q99928 3/20 0.43
GABRQ Q9UN88 3/20 0.43
TDP1 Q9NUW8 4/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 2/20 0.38

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
SCHEMBL9212439 0.90 GABRB3 (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9206366 0.85 GABRB3 (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8432858 0.84 TDP1 (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9211427 0.82 CYP3A4 (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9211225 0.75 FGFR4 (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9213840 0.75 MAPK1 (0.42) TDP1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL10620304 0.74 TDP1 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9206083 0.73 MAPT (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10347991 0.73 TDP1 (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10549778 0.72 MAPK1 (0.41) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-0630367-A1 NOVEL ARYLINDAZOLES AND THEIR USE AS HERBICIDES ZENECA LIMITED (GB) 1994-12-28 EP disclosed
CN-1079961-A New arylindazoles and they are as the purposes of weedicide SERIAL (GB) 1993-12-29 CN disclosed
WO-1993018008-A1 NOVEL ARYLINDAZOLES AND THEIR USE AS HERBICIDES ZENECA LIMITED (GB) 1993-09-16 WO disclosed