SCHEMBL8298151

SCHEMBL8298151

Cn1nc(-c2c(F)cccc2Cl)nc1-c1ccc(COc2ncc(C(F)(F)F)cc2Cl)c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.38
KMT2A Q03164 3/20 0.36
NPSR1 Q6W5P4 4/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 2/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
HPGD P15428 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
RAB9A P51151 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SCN9A Q15858 3/20 0.33
GAA P10253 1/20 0.32
ATM Q13315 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL8300515 0.90 GABRA5 (0.34) MRGPRX4KMT2ANPSR1MAPTMEN1
SCHEMBL8304100 0.89 MRGPRX4 (0.42) MRGPRX4KMT2ANPSR1MAPTMEN1
SCHEMBL8942727 0.84 MRGPRX4 (0.47) MRGPRX4KMT2ANPSR1MAPTMEN1
SCHEMBL8303382 0.83 HSD17B2 (0.34) NPSR1RAB9ASMN1; SMN2SCN9AKDM4E
SCHEMBL8942950 0.81 MRGPRX4 (0.48) MRGPRX4KMT2ANPSR1MAPTMEN1
SCHEMBL8303920 0.80 HPGD (0.47) KMT2ANPSR1MAPTMEN1ALDH1A1
SCHEMBL8942557 0.79 KMT2A (0.48) KMT2ANPSR1MAPTMEN1ALDH1A1
SCHEMBL8305282 0.79 NR1H2 (0.35) MAPTSMN1; SMN2SCN9AGABRG2GABRB3
SCHEMBL8303629 0.79 HPGD (0.46) KMT2ANPSR1MAPTALDH1A1POLB
SCHEMBL8304674 0.78 GABRA5 (0.38) MRGPRX4KMT2ANPSR1MAPTMEN1

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