SCHEMBL8876286

SCHEMBL8876286

Cn1nc(-c2c(F)cccc2Cl)nc1-c1cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccc1Cl

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.35
PTGES O14684 7/20 0.34
KDM4E B2RXH2 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PDE2A O00408 6/20 0.32
PDE10A Q9Y233 2/20 0.32
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
MAT2A P31153 2/20 0.31
PTGS1 P23219 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
SCHEMBL8875393 0.99 HSD11B1 (0.36) HSD11B1PTGESKDM4ENPSR1PDE2A
SCHEMBL8876099 0.86 HSD11B1 (0.38) HSD11B1PDE2APDE10ANR1H2NR1H3
SCHEMBL9251182 0.82 MAPT (0.38) PTGESKDM4ENPSR1PDE2APDE10A
SCHEMBL8303382 0.75 HSD17B2 (0.34) PTGESKDM4ENPSR1PDE2APDE10A
SCHEMBL9830092 0.74 HSD11B1 (0.51) HSD11B1PTGES
SCHEMBL5727268 0.74 HSD11B1 (0.38) HSD11B1PTGESKDM4ENPSR1PDE2A
SCHEMBL8304433 0.74 HSD11B1 (0.51) HSD11B1PTGESPDE2APDE10ANR1H2
SCHEMBL5727760 0.73 KDM4E (0.42) HSD11B1PTGESKDM4ENPSR1NR1H2
SCHEMBL5726302 0.73 KDM4E (0.42) HSD11B1PTGESKDM4ENPSR1PDE2A
SCHEMBL5727040 0.73 HSD11B1 (0.37) HSD11B1PTGESKDM4ENPSR1PDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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