SCHEMBL8303815

SCHEMBL8303815

Cn1nc(-c2c(F)cccc2Cl)nc1-c1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
HPGD P15428 2/20 0.45
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPT P10636 4/20 0.40
NPSR1 Q6W5P4 4/20 0.40
POLB P06746 3/20 0.40
MEN1 O00255 3/20 0.40
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
SCN9A Q15858 1/20 0.38
LMNA P02545 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
GAA P10253 1/20 0.38
ATM Q13315 1/20 0.38
HTT P42858 3/20 0.37

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
SCHEMBL8303920 0.90 HPGD (0.47) KMT2AHPGDCYP1A2CYP3A4CYP2C19
SCHEMBL8303732 0.89 KMT2A (0.46) KMT2AHPGDCYP1A2CYP3A4CYP2C19
SCHEMBL8942557 0.89 KMT2A (0.48) KMT2AHPGDRAB9AALDH1A1MAPT
SCHEMBL8303629 0.87 HPGD (0.46) KMT2AHPGDCYP1A2CYP3A4CYP2C19
SCHEMBL8304863 0.86 HPGD (0.48) KMT2AHPGDCYP1A2CYP3A4CYP2C19
SCHEMBL8304100 0.84 MRGPRX4 (0.42) KMT2AHPGDCYP1A2CYP3A4CYP2C19
SCHEMBL8942727 0.84 MRGPRX4 (0.47) KMT2AHPGDCYP1A2CYP3A4CYP2C19
SCHEMBL8299345 0.83 NPSR1 (0.37) KMT2ACYP1A2CYP2C19ALDH1A1MAPT
SCHEMBL8942950 0.80 MRGPRX4 (0.48) KMT2AHPGDCYP1A2CYP3A4CYP2C19
SCHEMBL8885768 0.80 HPGD (0.44) KMT2AHPGDCYP1A2CYP3A4CYP2C19

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