SCHEMBL8300515

SCHEMBL8300515

Cn1nc(-c2c(F)cccc2Cl)nc1-c1ccc(COc2ccc(C(F)(F)F)cn2)c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
RXRA P19793 3/20 0.33
GRIN1 Q05586 3/20 0.33
GRIN2B Q13224 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
NPY1R P25929 1/20 0.33
NPY2R P49146 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PTGES O14684 5/20 0.31
NR1H4 Q96RI1 1/20 0.31
HCRTR1 O43613 1/20 0.31
SLC2A1 P11166 1/20 0.31
MAPK1 P28482 1/20 0.30

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
SCHEMBL8298151 0.90 MRGPRX4 (0.38) MRGPRX4NPSR1KMT2AMAPTMEN1
SCHEMBL8304674 0.89 GABRA5 (0.38) GABRA5MRGPRX4RXRAGRIN1GRIN2B
SCHEMBL8942500 0.83 MRGPRX4 (0.41) GABRA5MRGPRX4RXRAGRIN1GRIN2B
SCHEMBL8303382 0.83 HSD17B2 (0.34) RXRANPSR1KDM4EPTGES
SCHEMBL8880240 0.81 L3MBTL1 (0.33) NPSR1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL8303158 0.79 KMT2A (0.48) NPSR1KMT2AMAPTMEN1POLB
SCHEMBL8304314 0.79 KMT2A (0.48) NPSR1KMT2AMAPTMEN1POLB
SCHEMBL8300716 0.79 KMT2A (0.45) NPSR1KMT2AMAPTMEN1POLB
SCHEMBL8298660 0.78 MAPT (0.43) RXRANPSR1KMT2AMAPTMEN1
SCHEMBL8304100 0.78 MRGPRX4 (0.42) MRGPRX4NPSR1KMT2AMAPTMEN1

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
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
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