SCHEMBL8303862

SCHEMBL8303862

Cc1cc(-c2nc(-c3c(F)cccc3Cl)nn2C)ccc1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGES O14684 5/20 0.42
PTGS1 P23219 2/20 0.42
TDP2 O95551 1/20 0.40
SCN5A Q14524 3/20 0.38
PTGS2 P35354 1/20 0.36
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
S1PR1 P21453 1/20 0.34
MARS1 P56192 1/20 0.34
ORAI1 Q96D31 1/20 0.34
TRPM8 Q7Z2W7 2/20 0.34
PDE2A O00408 1/20 0.33
PDE10A Q9Y233 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 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
SCHEMBL8300243 0.91 PTGES (0.41) PTGESPTGS1TDP2SCN5APTGS2
SCHEMBL8299367 0.87 PTGES (0.45) PTGESPTGS1TDP2SCN5APTGS2
SCHEMBL5726584 0.84 TDP2 (0.40) PTGESPTGS1TDP2SCN5APTGS2
SCHEMBL8304787 0.83 MAPT (0.41) PTGESPTGS1TDP2SCN5A
SCHEMBL5727151 0.83 TDP2 (0.39) PTGESPTGS1TDP2SCN5APTGS2
SCHEMBL5727785 0.83 PTGES (0.40) PTGESPTGS1TDP2SCN5APTGS2
SCHEMBL5727460 0.83 PTGES (0.40) PTGESPTGS1TDP2SCN5APTGS2
SCHEMBL5727153 0.82 TDP2 (0.39) PTGESPTGS1TDP2SCN5APTGS2
SCHEMBL8297501 0.82 MRGPRX4 (0.40) PTGESPTGS1TDP2SCN5ATRPM8
SCHEMBL5728721 0.82 TDP2 (0.40) PTGESPTGS1TDP2SCN5APTGS2

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