SCHEMBL8303732

SCHEMBL8303732

COc1cc(Oc2ncc(C(F)(F)F)cc2Cl)cc(-c2nc(-c3c(F)cccc3Cl)nn2C)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
RAB9A P51151 1/20 0.45
HPGD P15428 3/20 0.44
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 7/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
SCN9A Q15858 1/20 0.40
HTT P42858 3/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 2/20 0.39
XBP1 P17861 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LIPE Q05469 1/20 0.38

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
SCHEMBL8942557 0.91 KMT2A (0.48) KMT2ARAB9AHPGDALDH1A1LMNA
SCHEMBL8303815 0.89 KMT2A (0.48) KMT2ARAB9AHPGDCYP1A2CYP3A4
SCHEMBL8303629 0.87 HPGD (0.46) KMT2ARAB9AHPGDCYP1A2CYP3A4
SCHEMBL8303920 0.87 HPGD (0.47) KMT2ARAB9AHPGDCYP1A2CYP3A4
SCHEMBL8304863 0.83 HPGD (0.48) KMT2ARAB9AHPGDCYP1A2CYP3A4
SCHEMBL8942727 0.82 MRGPRX4 (0.47) KMT2ARAB9AHPGDCYP1A2CYP3A4
SCHEMBL8304100 0.81 MRGPRX4 (0.42) KMT2ARAB9AHPGDCYP1A2CYP3A4
SCHEMBL8346812 0.79 FFAR1 (0.43) KMT2ARAB9AHPGDCYP1A2CYP3A4
SCHEMBL8346560 0.79 KMT2A (0.46) KMT2ARAB9AHPGDALDH1A1LMNA
SCHEMBL8942950 0.79 MRGPRX4 (0.48) KMT2ARAB9AHPGDCYP1A2CYP3A4

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