SCHEMBL8300261

SCHEMBL8300261

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 2/20 0.39
PDE2A O00408 4/20 0.37
PDE10A Q9Y233 2/20 0.37
HSD17B2 P37059 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PTGES O14684 5/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPK14 Q16539 1/20 0.33
MAPT P10636 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
AKR1B1 P15121 1/20 0.32

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
SCHEMBL8300795 0.90 NR1H2 (0.40) NR1H2NR1H3PDE2APDE10AHSD17B2
SCHEMBL8298161 0.89 HSD17B2 (0.39) NR1H2NR1H3PDE2APDE10AHSD17B2
SCHEMBL8942480 0.85 NR1H2 (0.44) NR1H2NR1H3PDE2APDE10AHSD17B2
SCHEMBL8304815 0.85 NR1H2 (0.43) NR1H2NR1H3PDE2APDE10AHSD17B2
SCHEMBL8303293 0.84 SIGMAR1 (0.40) NR1H2NR1H3PDE2APDE10AHSD17B2
SCHEMBL8303453 0.83 HSD17B2 (0.44) NR1H2NR1H3PDE2APDE10AHSD17B2
SCHEMBL8304720 0.83 CYP1A2 (0.38) NR1H2NR1H3HSD17B2NPC1RAB9A
SCHEMBL8304172 0.81 PSEN1 (0.42) NR1H2NR1H3PDE10AHSD17B2
SCHEMBL8942725 0.81 NR1H2 (0.49) NR1H2NR1H3PDE2APDE10AHSD17B2
SCHEMBL8305282 0.80 NR1H2 (0.35) NR1H2NR1H3HSD17B2MAPTSMN1; SMN2

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