SCHEMBL10733776

SCHEMBL10733776

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 4/20 0.38
▸ AR P10275 5/20 0.34
▸ CYP3A4 P08684 3/20 0.34
▸ PGR P06401 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ALOX15 P16050 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ TXNRD1 Q16881 1/20 0.33
▸ TXNRD3 Q86VQ6 1/20 0.33
▸ TXNRD2 Q9NNW7 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ CES2 O00748 1/20 0.32
▸ ABCB11 O95342 1/20 0.32

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 0.99 PKM (0.38) PKMARCYP3A4PGRPOLB
Potassium Ion SCHEMBL10728125 0.98 PKM (0.38) PKMARCYP3A4PGRPOLB
SCHEMBL10733785 0.98 PKM (0.38) PKMARCYP3A4PGRPOLB
SCHEMBL10728123 0.98 PKM (0.38) PKMARCYP3A4PGRPOLB
SCHEMBL10733780 0.98 PKM (0.38) PKMARCYP3A4PGRPOLB
Potassium SCHEMBL10728128 0.98 PKM (0.38) PKMARCYP3A4PGRPOLB
Isopropylamine SCHEMBL10728198 0.93 PKM (0.37) PKMARCYP3A4PGRPOLB
SCHEMBL10729830 0.92 PKM (0.36) PKMARCYP3A4PGRPOLB
SCHEMBL10729062 0.88 PKM (0.33) PKMARCYP3A4PGRPOLB
SCHEMBL10577756 0.88 PKM (0.38) PKMARCYP3A4PGRPOLB

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 2 patents. 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
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 disclosed
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