SCHEMBL8301702

SCHEMBL8301702

Cn1nc(-c2c(F)cccc2Cl)nc1-c1ccc(OCc2ccc(C(F)(F)F)cc2F)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 16/20 0.41
PTGER1 P34995 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD11B1 P28845 1/20 0.37

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
SCHEMBL8300094 0.95 MRGPRX4 (0.43) MRGPRX4
SCHEMBL8299339 0.95 MRGPRX4 (0.43) MRGPRX4
SCHEMBL8300752 0.93 KDM4E (0.38) MRGPRX4PTGER1KDM4ENPSR1HSD11B1
SCHEMBL8439602 0.90 MRGPRX4 (0.45) MRGPRX4KDM4ENPSR1
SCHEMBL8298660 0.86 MAPT (0.43) KDM4ENPSR1
SCHEMBL8298176 0.86 MRGPRX4 (0.46) MRGPRX4
SCHEMBL8304674 0.84 GABRA5 (0.38) MRGPRX4KDM4ENPSR1
SCHEMBL8304100 0.82 MRGPRX4 (0.42) MRGPRX4KDM4ENPSR1
SCHEMBL8303158 0.82 KMT2A (0.48) KDM4ENPSR1
SCHEMBL8299345 0.81 NPSR1 (0.37) KDM4ENPSR1

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