SCHEMBL8662005

SCHEMBL8662005

FC(F)(F)c1cccc(Sc2ncn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 8/20 0.43
GABRP O00591 7/20 0.43
GABRD O14764 7/20 0.43
GABRA1 P14867 7/20 0.43
GABRB1 P18505 7/20 0.43
GABRG2 P18507 7/20 0.43
GABRA5 P31644 7/20 0.43
GABRA3 P34903 7/20 0.43
GABRA2 P47869 7/20 0.43
GABRB2 P47870 7/20 0.43
GABRA4 P48169 7/20 0.43
GABRE P78334 7/20 0.43
GABRA6 Q16445 7/20 0.43
GABRG1 Q8N1C3 7/20 0.43
GABRG3 Q99928 7/20 0.43
GABRQ Q9UN88 7/20 0.43
LRRK2 Q5S007 4/20 0.42
MAPK14 Q16539 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 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
SCHEMBL8659811 0.80 GABRA2 (0.44) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL8663432 0.76 GABRA2 (0.41) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL6867229 0.73 GABRA2 (0.47) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL6869656 0.71 GABRA2 (0.47) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL8666128 0.70 GABRB3 (0.47) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL30688819 0.68 XBP1 (0.57) LRRK2KDM4EHPGDXBP1MEN1
SCHEMBL8863159 0.68 XBP1 (0.57) LRRK2KDM4EHPGDXBP1MEN1
SCHEMBL6865370 0.67 GABRA2 (0.43) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL9703393 0.67 GABRA2 (0.43) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL8662638 0.67 GABRA2 (0.43) GABRB3GABRPGABRDGABRA1GABRB1

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
US-5756522-A INSECTICIDES, ACARICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-05-26 US disclosed
EP-0780381-A1 Triazole derivatives and uses thereof SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1997-06-25 EP disclosed