SCHEMBL8301628

SCHEMBL8301628

Cn1nc(-c2c(F)cccc2Cl)nc1-c1ccc(COc2ncc(C(F)(F)F)cc2Cl)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.48
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
ALDH1A1 P00352 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HDAC1 Q13547 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL8942727 0.90 MRGPRX4 (0.47) MRGPRX4KMT2AMEN1ALDH1A1NPSR1
SCHEMBL8942950 0.86 MRGPRX4 (0.48) MRGPRX4KMT2AMEN1ALDH1A1NPSR1
SCHEMBL8304100 0.83 MRGPRX4 (0.42) MRGPRX4KMT2AMEN1ALDH1A1NPSR1
SCHEMBL6507018 0.81 MRGPRX4 (0.47) MRGPRX4KMT2AMEN1ALDH1A1NPSR1
SCHEMBL8942557 0.79 KMT2A (0.48) KMT2AMEN1ALDH1A1NPSR1MAPT
SCHEMBL8303815 0.79 KMT2A (0.48) KMT2AMEN1ALDH1A1NPSR1MAPT
SCHEMBL8876219 0.79 CRHR1 (0.40) KMT2AMAPTHPGDATMHSD11B1
SCHEMBL8303920 0.78 HPGD (0.47) KMT2AMEN1ALDH1A1NPSR1MAPT
SCHEMBL8298151 0.78 MRGPRX4 (0.38) MRGPRX4KMT2AMEN1ALDH1A1NPSR1
SCHEMBL8300288 0.78 CRHR1 (0.37) KMT2AHPGDSMN1; SMN2L3MBTL1CYP3A4

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