Bromuconazole

Bromuconazole

SCHEMBL1613562

Clc1ccc(C2(Cn3cncn3)CC(Br)CO2)c(Cl)c1.c1cc[nH]c1

nearest known ligand 0.89

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 14/20 0.89
CYP2C9 P11712 1/20 0.89
THRB P10828 1/20 0.52
KDM4E B2RXH2 1/20 0.43
LMNA P02545 3/20 0.40
FYN P06241 2/20 0.40
CYP51A1 Q16850 2/20 0.40
ADRA1A P35348 2/20 0.40
NR1I2 O75469 1/20 0.40
PGR P06401 1/20 0.40
HSP90AA1 P07900 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
ADRA2A P08913 1/20 0.40
CHRM1 P11229 1/20 0.40
TSHR P16473 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
CHRM3 P20309 1/20 0.40

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
Bromuconazole SCHEMBL22340 0.94 CYP3A4 (1.00) CYP3A4CYP2C9THRBKDM4ELMNA
Bromuconazole SCHEMBL3682832 0.94 CYP3A4 (1.00) CYP3A4CYP2C9THRBKDM4ELMNA
Bromuconazole SCHEMBL29360340 0.94 CYP3A4 (1.00) CYP3A4CYP2C9THRBKDM4ELMNA
Bromuconazole SCHEMBL28333287 0.88 CYP3A4 (0.87) CYP3A4CYP2C9THRBKDM4ELMNA
SCHEMBL9854122 0.84 CYP3A4 (0.80) CYP3A4CYP2C9THRBKDM4ELMNA
SCHEMBL9597393 0.83 CYP3A4 (0.78) CYP3A4CYP2C9THRBKDM4ELMNA
SCHEMBL9597099 0.82 CYP3A4 (0.77) CYP3A4CYP2C9THRBKDM4ELMNA
SCHEMBL74247 0.81 CYP3A4 (0.74) CYP3A4CYP2C9THRBKDM4ELMNA
Fluconazole SCHEMBL21853747 0.81 CYP3A4 (0.71) CYP3A4CYP2C9THRBKDM4ELMNA
SCHEMBL9597314 0.80 CYP3A4 (0.74) CYP3A4CYP2C9THRBKDM4ELMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110086758-A1 Fungicidal compositions comprising 3'-bromo-2,3,4,6'-tetramethoxy-2',6-dimethylbenzophenone BASF SE (DE) 2011-04-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110086758-A1 Fungicidal compositions comprising 3'-bromo-2,3,4,6'-tetramethoxy-2',6-dimethylbenzophenone DDT, CYP1B1, CYP4B1 CYP3A4 40/4885CYP2C9 321/4885THRB 1948/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.