SCHEMBL9681929

SCHEMBL9681929

COC(=O)c1nc(Cl)cn(-c2c(Cl)cc(C(F)(F)F)cc2[N+](=O)[O-])c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
TDP1 Q9NUW8 2/20 0.44
MAPT P10636 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
GABRQ Q9UN88 1/20 0.40
CYP3A4 P08684 3/20 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
SCHEMBL9682446 0.90 SMN1; SMN2 (0.46) SMN1; SMN2TDP1MAPTGABRPGABRD
SCHEMBL9683329 0.84 ALDH1A1 (0.46) SMN1; SMN2TDP1MAPTGABRPGABRD
SCHEMBL9681941 0.74 TDP1 (0.47) SMN1; SMN2TDP1MAPTGABRPGABRD
SCHEMBL10444731 0.73 CYP3A4 (0.55) SMN1; SMN2TDP1MAPTCYP3A4ALDH1A1
SCHEMBL10444826 0.73 ALDH1A1 (0.48) SMN1; SMN2TDP1MAPTCYP3A4ALDH1A1
SCHEMBL9684204 0.72 TDP1 (0.42) SMN1; SMN2TDP1MAPTCYP3A4ALDH1A1
SCHEMBL9369230 0.71 GABRA2 (0.46) SMN1; SMN2TDP1MAPTGABRA2GABRB2
SCHEMBL22366851 0.71 SMN1; SMN2 (0.46) SMN1; SMN2TDP1MAPTCYP3A4ALDH1A1
SCHEMBL30185175 0.71 SMN1; SMN2 (0.46) SMN1; SMN2TDP1MAPTCYP3A4ALDH1A1
SCHEMBL9343850 0.71 TDP1 (0.48) SMN1; SMN2TDP1MAPTCYP3A4ALDH1A1

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