SCHEMBL9683329

SCHEMBL9683329

COC(=O)c1nccn(-c2c(Cl)cc(C(F)(F)F)cc2[N+](=O)[O-])c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
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

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
SCHEMBL9681929 0.84 SMN1; SMN2 (0.48) ALDH1A1KDM4ESMN1; SMN2MAPTTDP1
SCHEMBL9682446 0.82 SMN1; SMN2 (0.46) ALDH1A1KDM4ESMN1; SMN2MAPTTDP1
SCHEMBL9723126 0.74 TDP1 (0.44) ALDH1A1KDM4ESMN1; SMN2MAPTTDP1
SCHEMBL31226735 0.73 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2MAPTTDP1GABRP
SCHEMBL9343850 0.73 TDP1 (0.48) ALDH1A1KDM4ESMN1; SMN2MAPTTDP1
SCHEMBL9723076 0.72 TDP1 (0.45) ALDH1A1KDM4ESMN1; SMN2MAPTTDP1
SCHEMBL9684204 0.72 TDP1 (0.42) ALDH1A1KDM4ESMN1; SMN2MAPTTDP1
SCHEMBL9339580 0.72 TDP1 (0.47) ALDH1A1KDM4ESMN1; SMN2MAPTTDP1
SCHEMBL9723128 0.72 TDP1 (0.40) ALDH1A1KDM4ESMN1; SMN2MAPTTDP1
SCHEMBL9340200 0.72 TDP1 (0.44) ALDH1A1KDM4ESMN1; SMN2MAPTTDP1

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