SCHEMBL9681975

SCHEMBL9681975

N#Cc1cc(C(F)(F)F)cc(Cl)c1-n1cc(C(F)(F)F)ncc1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
GABRB3 P28472 6/20 0.38
GABRA2 P47869 7/20 0.37
GABRB2 P47870 7/20 0.37
GABRP O00591 5/20 0.37
GABRD O14764 5/20 0.37
GABRA1 P14867 5/20 0.37
GABRB1 P18505 5/20 0.37
GABRG2 P18507 5/20 0.37
GABRA5 P31644 5/20 0.37
GABRA3 P34903 5/20 0.37
GABRA4 P48169 5/20 0.37
GABRE P78334 5/20 0.37
GABRA6 Q16445 5/20 0.37
GABRG1 Q8N1C3 5/20 0.37
GABRG3 Q99928 5/20 0.37

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
SCHEMBL9682464 0.87 GABRA2 (0.43) ALDH1A1GABRB3GABRA2GABRB2GABRP
SCHEMBL9684212 0.86 GAA (0.33) GAAKDM4EALDH1A1SMN1; SMN2TDP1
SCHEMBL9582286 0.82 GABRA2 (0.38) GAAKDM4EALDH1A1SMN1; SMN2TDP1
SCHEMBL9683852 0.78 TDP1 (0.46) GAAKDM4EALDH1A1SMN1; SMN2TDP1
SCHEMBL9730755 0.77 GAA (0.43) GAAKDM4EALDH1A1SMN1; SMN2TDP1
SCHEMBL9581399 0.77 GABRB3 (0.35) GAAKDM4EALDH1A1SMN1; SMN2TDP1
SCHEMBL9582023 0.77 GABRA2 (0.36) GAAKDM4EALDH1A1SMN1; SMN2TDP1
SCHEMBL9730810 0.75 GABRB3 (0.37) GAAKDM4EALDH1A1SMN1; SMN2TDP1
SCHEMBL9731112 0.75 GABRA2 (0.37) GAAKDM4EALDH1A1SMN1; SMN2TDP1
SCHEMBL9683010 0.75 ALDH1A1 (0.49) GAAALDH1A1SMN1; SMN2TDP1CYP3A4

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-5079251-A Insecticides, pesticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-01-07 US disclosed
EP-0408196-A2 Pyrazinone derivatives as insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-01-16 EP disclosed