SCHEMBL8300752

SCHEMBL8300752

Cn1nc(-c2c(F)cccc2Cl)nc1-c1ccc(COc2ccc(C(F)(F)F)cc2F)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MRGPRX4 Q96LA9 13/20 0.38
PTGER1 P34995 1/20 0.35
HSD11B1 P28845 1/20 0.35
MAPT P10636 1/20 0.35
PTGES O14684 2/20 0.34
PTGS1 P23219 1/20 0.34

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
SCHEMBL8299339 0.95 MRGPRX4 (0.43) MRGPRX4
SCHEMBL8300094 0.95 MRGPRX4 (0.43) MRGPRX4
SCHEMBL8301702 0.93 MRGPRX4 (0.41) KDM4ENPSR1MRGPRX4PTGER1HSD11B1
SCHEMBL8298660 0.90 MAPT (0.43) KDM4ENPSR1MAPTPTGES
SCHEMBL8304674 0.87 GABRA5 (0.38) KDM4ENPSR1MRGPRX4MAPTPTGES
SCHEMBL8439602 0.86 MRGPRX4 (0.45) KDM4ENPSR1MRGPRX4
SCHEMBL8304100 0.85 MRGPRX4 (0.42) KDM4ENPSR1MRGPRX4MAPT
SCHEMBL8304787 0.82 MAPT (0.41) KDM4EMRGPRX4MAPTPTGESPTGS1
SCHEMBL8298176 0.82 MRGPRX4 (0.46) MRGPRX4
SCHEMBL8303158 0.80 KMT2A (0.48) KDM4ENPSR1MAPTPTGES

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