SCHEMBL7646902

SCHEMBL7646902

CNc1c(S(=O)(=O)C(F)(F)F)c(C(N)=NO)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 19/20 0.38
GABRA2 P47869 18/20 0.38
GABRB2 P47870 18/20 0.38
GABRP O00591 16/20 0.38
GABRD O14764 16/20 0.38
GABRA1 P14867 16/20 0.38
GABRB1 P18505 16/20 0.38
GABRG2 P18507 16/20 0.38
GABRA5 P31644 16/20 0.38
GABRA3 P34903 16/20 0.38
GABRA4 P48169 16/20 0.38
GABRE P78334 16/20 0.38
GABRA6 Q16445 16/20 0.38
GABRG1 Q8N1C3 16/20 0.38
GABRG3 Q99928 16/20 0.38
GABRQ Q9UN88 16/20 0.38
BACE1 P56817 1/20 0.35
NR1I2 O75469 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL7249122 0.86 GABRP (0.47) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL10425168 0.82 GABRB3 (0.43) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7025824 0.80 GABRB3 (0.38) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7027748 0.79 GABRP (0.47) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7029619 0.79 GABRP (0.47) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL1408607 0.78 GABRB3 (0.48) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7250317 0.77 GABRP (0.44) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL8531723 0.76 GABRB3 (0.40) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7032123 0.76 GABRP (0.44) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL10425080 0.74 GABRB3 (0.42) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0879229-B1 ARYLPYRAZOLE INSECTICIDES TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-11-06 EP disclosed
US-6316477-B1 NO DAMAGE TO PLANTS, LESS TOXIC TO FISH TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-11-13 US disclosed