SCHEMBL8305282

SCHEMBL8305282

Cn1nc(-c2c(F)cccc2Cl)nc1-c1ccc(COc2ncc(Cl)cc2Cl)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
SCN9A Q15858 3/20 0.34
GABRG2 P18507 4/20 0.33
GABRB3 P28472 4/20 0.33
GABRA3 P34903 4/20 0.33
PPARG P37231 2/20 0.33
LTA4H P09960 1/20 0.33
KCNH2 Q12809 1/20 0.33
HSD17B2 P37059 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRA2 P47869 1/20 0.33
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CSF1R P07333 1/20 0.32
ORAI1 Q96D31 1/20 0.31
WEE1 P30291 1/20 0.31

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
SCHEMBL8304100 0.90 MRGPRX4 (0.42) SCN9AGABRG2GABRB3GABRA3MAPT
SCHEMBL8300795 0.81 NR1H2 (0.40) NR1H2NR1H3HSD17B2MAPTSMN1; SMN2
SCHEMBL8304787 0.81 MAPT (0.41) MAPTSMN1; SMN2
SCHEMBL8298660 0.81 MAPT (0.43) NR1H2NR1H3KCNH2MAPTSMN1; SMN2
SCHEMBL8304674 0.81 GABRA5 (0.38) MAPTORAI1
SCHEMBL8304720 0.80 CYP1A2 (0.38) NR1H2NR1H3SCN9AHSD17B2MAPT
SCHEMBL8298161 0.80 HSD17B2 (0.39) NR1H2NR1H3HSD17B2MAPTSMN1; SMN2
SCHEMBL8300261 0.80 NR1H2 (0.39) NR1H2NR1H3HSD17B2MAPTSMN1; SMN2
SCHEMBL8300752 0.80 KDM4E (0.38) MAPT
SCHEMBL8300094 0.80 MRGPRX4 (0.43)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0648752-B1 TRIAZOLE DERIVATIVE, INSECTICIDAL/ACARICIDAL AGENT, AND PROCESS FOR PRODUCING THE SAME KUMIAI CHEMICAL INDUSTRY CO (JP) 1999-10-06 EP disclosed
US-5700824-A Triazole derivatives, insecticide, acaricide and methods thereof KUMIAI CHEMICAL INDUSTRIAL CO. LTD. (JP) 1997-12-23 US disclosed
US-5616594-A Triazole derivatives, insecticide, acaricide and methods thereof IHARA CHEMICAL INDUSTRY CO. LTD. (JP) 1997-04-01 US disclosed
EP-0648752-A1 TRIAZOLE DERIVATIVE, INSECTICIDAL/ACARICIDAL AGENT, AND PROCESS FOR PRODUCING THE SAME KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1995-04-19 EP disclosed