SCHEMBL8058879

SCHEMBL8058879

COC(=O)C=Cc1ccc2cnn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRA4 P48169 1/20 0.40
GABRE P78334 1/20 0.40
GABRA6 Q16445 1/20 0.40
GABRG1 Q8N1C3 1/20 0.40
GABRG3 Q99928 1/20 0.40
GABRQ Q9UN88 1/20 0.40
APP P05067 2/20 0.39
TTR P02766 1/20 0.39
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 4/20 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
SCHEMBL8058876 1.00 GABRP (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8064336 0.81 CYP11B2 (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9207794 0.78 MAPK1 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8047202 0.76 NPBWR1 (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27461045 0.76 LMNA (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9210384 0.74 CYP11B2 (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8059782 0.74 GABRB3 (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8062271 0.73 CYP11B2 (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8433371 0.73 GABRB3 (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8057793 0.73 CYP11B2 (0.40) 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 3 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-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