SCHEMBL10729062

SCHEMBL10729062

CCCCCCN.O=C(Nc1c([N+](=O)[O-])cnn1-c1c(Cl)cc(C(F)(F)F)c(Cl)c1Cl)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 3/20 0.33
▸ POLB P06746 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ AR P10275 4/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ PGR P06401 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ VCAM1 P19320 1/20 0.30

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
SCHEMBL10573487 0.89 PKM (0.38) PKMPOLBMEN1KMT2AAR
Potassium Ion SCHEMBL10728125 0.88 PKM (0.38) PKMPOLBMEN1KMT2AAR
SCHEMBL10733776 0.88 PKM (0.38) PKMPOLBMEN1KMT2AAR
SCHEMBL10733785 0.88 PKM (0.38) PKMPOLBMEN1KMT2AAR
Potassium SCHEMBL10728128 0.88 PKM (0.38) PKMPOLBMEN1KMT2AAR
SCHEMBL10733780 0.88 PKM (0.38) PKMPOLBMEN1KMT2AAR
SCHEMBL10728123 0.88 PKM (0.38) PKMPOLBMEN1KMT2AAR
SCHEMBL10729830 0.87 PKM (0.36) PKMPOLBMEN1KMT2AAR
Isopropylamine SCHEMBL10728198 0.87 PKM (0.37) PKMPOLBMEN1KMT2AAR
Isopropylamine SCHEMBL10733802 0.80 PKM (0.36) PKMPOLBMEN1KMT2AAR

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-4711658-A 5-perfluoroacylamino-4-nitro-1-arylpyrazole salts, plant growth regulating and herbicidal composition containing them, and plant growth regulating and herbicidal method of using them BAYER AKTIENGESELLSCHAFT (DE) 1987-12-08 — — US claimed
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