SCHEMBL8304787

SCHEMBL8304787

Cn1nc(-c2c(F)cccc2Cl)nc1-c1ccc(COc2ccc(OC(F)(F)F)cc2)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.38
PTGER4 P35408 1/20 0.38
TDP2 O95551 1/20 0.38
SCN5A Q14524 1/20 0.38
RAB9A P51151 4/20 0.38
NPC1 O15118 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
PTGES O14684 1/20 0.37
PTGS1 P23219 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
THRB P10828 1/20 0.34
GRM2 Q14416 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
SCHEMBL8298660 0.91 MAPT (0.43) MAPTSMN1; SMN2RAB9ANPC1NFKB1
SCHEMBL8297501 0.86 MRGPRX4 (0.40) TDP2SCN5APTGESPTGS1MRGPRX4
SCHEMBL8300243 0.84 PTGES (0.41) TDP2SCN5APTGESPTGS1
SCHEMBL8303862 0.83 PTGES (0.42) TDP2SCN5APTGESPTGS1
SCHEMBL8300094 0.82 MRGPRX4 (0.43) MRGPRX4
SCHEMBL8300752 0.82 KDM4E (0.38) MAPTPTGESPTGS1MRGPRX4KDM4E
SCHEMBL8299339 0.82 MRGPRX4 (0.43) MRGPRX4
SCHEMBL8299367 0.82 PTGES (0.45) MAPTTDP2SCN5APTGESPTGS1
SCHEMBL8298665 0.82 MRGPRX4 (0.41) TDP2MRGPRX4GRM2
SCHEMBL8304100 0.82 MRGPRX4 (0.42) MAPTSMN1; SMN2RAB9AMEN1KMT2A

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