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Tebuthiuron

Tebuthiuron

SCHEMBL9715149

CCCCOCN(C(=O)CCl)c1c(C)cccc1C(C)(C)C.CCCCOCN(C(=O)CCl)c1c(C)cccc1C(C)(C)C.CNC(=O)N(C)c1nnc(C(C)(C)C)s1.CNC(=O)N(C)c1nnc(C(C)(C)C)s1.Cc1[nH]c(=O)n(C(C)(C)C)c(=O)c1Cl.Cc1[nH]c(=O)n(C(C)(C)C)c(=O)c1Cl

nearest known ligand 0.36

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Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.32
▸ TP53 P04637 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
Terbacil SCHEMBL9675980 0.86 TDP1 (0.48) TDP1MEN1KMT2ACYP3A4ALDH1A1
Terbuthylazine SCHEMBL9702935 0.79 TDP1 (0.38) TDP1MEN1KMT2ACYP3A4ALDH1A1
SCHEMBL8534756 0.73 TDP1 (0.65) TDP1MEN1KMT2ACYP3A4ALDH1A1
SCHEMBL29634930 0.73 TDP1 (0.65) TDP1MEN1KMT2ACYP3A4ALDH1A1
SCHEMBL135983 0.73 TDP1 (0.65) TDP1MEN1KMT2ACYP3A4ALDH1A1
SCHEMBL11796525 0.67 TDP1 (0.51) TDP1MEN1KMT2ACYP3A4ALDH1A1
SCHEMBL8100488 0.65 TDP1 (0.76) TDP1MEN1KMT2ACYP3A4ALDH1A1
SCHEMBL2812989 0.64 TDP1 (0.43) TDP1MEN1KMT2ACYP3A4ALDH1A1
SCHEMBL4767509 0.63 TDP1 (0.46) TDP1MEN1KMT2ACYP3A4ALDH1A1
SCHEMBL27260855 0.62 TDP1 (0.68) TDP1MEN1KMT2ACYP3A4ALDH1A1

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
WO-1992013861-A1 HERBICIDAL BICYCLIC ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-08-20 — — WO disclosed
WO-1992009578-A1 SUBSTITUTED FUSED HETEROCYCLIC HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-06-11 — — WO disclosed