SCHEMBL8299367

SCHEMBL8299367

Cn1nc(-c2c(F)cccc2Cl)nc1-c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 5/20 0.45
PTGS1 P23219 2/20 0.45
TDP2 O95551 1/20 0.41
SCN5A Q14524 3/20 0.40
PTGS2 P35354 1/20 0.36
HSD17B2 P37059 1/20 0.35
MARS1 P56192 1/20 0.35
SCN9A Q15858 1/20 0.35
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
RECQL P46063 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GCGR P47871 1/20 0.33
RXRA P19793 1/20 0.33
NR1H2 P55055 1/20 0.33

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
SCHEMBL8303862 0.87 PTGES (0.42) PTGESPTGS1TDP2SCN5APTGS2
SCHEMBL8300243 0.86 PTGES (0.41) PTGESPTGS1TDP2SCN5APTGS2
SCHEMBL5727460 0.86 PTGES (0.40) PTGESPTGS1TDP2SCN5APTGS2
SCHEMBL5727785 0.86 PTGES (0.40) PTGESPTGS1TDP2SCN5APTGS2
SCHEMBL5726111 0.84 PTGES (0.39) PTGESPTGS1TDP2SCN5APTGS2
SCHEMBL5727724 0.83 TDP2 (0.39) PTGESPTGS1TDP2SCN5APTGS2
SCHEMBL5725984 0.83 TDP2 (0.39) PTGESPTGS1TDP2SCN5APTGS2
SCHEMBL5726584 0.83 TDP2 (0.40) PTGESPTGS1TDP2SCN5APTGS2
SCHEMBL5728721 0.83 TDP2 (0.40) PTGESPTGS1TDP2SCN5APTGS2
SCHEMBL8304787 0.82 MAPT (0.41) PTGESPTGS1TDP2SCN5AMAPT

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