SCHEMBL8303293

SCHEMBL8303293

Cn1nc(-c2c(F)cccc2Cl)nc1-c1ccc(Cc2ccc(Cl)c(Cl)c2)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.40
SLC6A2 P23975 5/20 0.36
SLC6A4 P31645 5/20 0.36
SLC6A3 Q01959 5/20 0.36
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 2/20 0.36
ADORA2A P29274 3/20 0.35
ADORA1 P30542 1/20 0.35
PDE2A O00408 3/20 0.35
HSD11B1 P28845 1/20 0.34
HSD17B2 P37059 1/20 0.34
EIF4E P06730 1/20 0.33
PDE10A Q9Y233 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 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 0.85 NR1H2 (0.40) SIGMAR1NR1H2NR1H3ADORA2AADORA1
SCHEMBL8300261 0.84 NR1H2 (0.39) SIGMAR1NR1H2NR1H3PDE2AHSD17B2
SCHEMBL8298161 0.84 HSD17B2 (0.39) SIGMAR1NR1H2NR1H3PDE2AHSD17B2
SCHEMBL8304815 0.81 NR1H2 (0.43) SIGMAR1NR1H2NR1H3PDE2AHSD17B2
SCHEMBL8942539 0.79 NR1H2 (0.44) NR1H2NR1H3PDE2AHSD17B2PDE10A
SCHEMBL8942480 0.79 NR1H2 (0.44) NR1H2NR1H3PDE2AHSD17B2PDE10A
SCHEMBL8303453 0.79 HSD17B2 (0.44) SIGMAR1NR1H2NR1H3PDE2AHSD17B2
SCHEMBL8304720 0.78 CYP1A2 (0.38) NR1H2NR1H3HSD17B2NPC1RAB9A
SCHEMBL8304172 0.77 PSEN1 (0.42) NR1H2NR1H3HSD17B2PDE10A
SCHEMBL8942725 0.77 NR1H2 (0.49) NR1H2NR1H3PDE2AHSD17B2PDE10A

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