SCHEMBL9682446

SCHEMBL9682446

COC(=O)c1nc(Br)cn(-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
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 1/20 0.39
GABRA6 Q16445 1/20 0.39
GABRG1 Q8N1C3 1/20 0.39
GABRG3 Q99928 1/20 0.39
GABRQ Q9UN88 1/20 0.39
CYP3A4 P08684 3/20 0.38

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 0.90 SMN1; SMN2 (0.48) SMN1; SMN2MAPTTDP1GABRPGABRD
SCHEMBL9683329 0.82 ALDH1A1 (0.46) SMN1; SMN2MAPTTDP1GABRPGABRD
SCHEMBL10444826 0.76 ALDH1A1 (0.48) SMN1; SMN2MAPTTDP1CYP3A4ALDH1A1
SCHEMBL9684204 0.73 TDP1 (0.42) SMN1; SMN2MAPTTDP1CYP3A4ALDH1A1
SCHEMBL10444731 0.72 CYP3A4 (0.55) SMN1; SMN2MAPTTDP1CYP3A4ALDH1A1
SCHEMBL9340200 0.70 TDP1 (0.44) SMN1; SMN2MAPTTDP1GABRPGABRD
SCHEMBL9369230 0.70 GABRA2 (0.46) SMN1; SMN2MAPTTDP1GABRA2GABRB2
SCHEMBL22366851 0.69 SMN1; SMN2 (0.46) SMN1; SMN2MAPTTDP1CYP3A4ALDH1A1
SCHEMBL30185175 0.69 SMN1; SMN2 (0.46) SMN1; SMN2MAPTTDP1CYP3A4ALDH1A1
SCHEMBL10444468 0.69 CYP3A4 (0.45) SMN1; SMN2MAPTTDP1CYP3A4ALDH1A1

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