Terbuthylazine

Terbuthylazine

SCHEMBL9702935

CCCCOCN(C(=O)CCl)c1c(C)cccc1C(C)(C)C.CCNc1nc(Cl)nc(NC(C)(C)C)n1.Cc1[nH]c(=O)n(C(C)(C)C)c(=O)c1Cl

nearest known ligand 0.38

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Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33

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 0.88 TDP1 (0.48) TDP1KMT2AMEN1ALDH1A1TP53
SCHEMBL4767509 0.82 TDP1 (0.46) TDP1KMT2AMEN1ALDH1A1TP53
Tebuthiuron SCHEMBL9715149 0.79 TDP1 (0.36) TDP1KMT2AMEN1ALDH1A1TP53
SCHEMBL8534756 0.74 TDP1 (0.65) TDP1KMT2AMEN1ALDH1A1TP53
SCHEMBL135983 0.74 TDP1 (0.65) TDP1KMT2AMEN1ALDH1A1TP53
SCHEMBL29634930 0.74 TDP1 (0.65) TDP1KMT2AMEN1ALDH1A1TP53
Acetochlor SCHEMBL19463033 0.74 TP53 (0.63) TDP1KMT2AMEN1ALDH1A1TP53
Alachlor SCHEMBL18115354 0.68 TP53 (0.60) TDP1KMT2AMEN1ALDH1A1TP53
SCHEMBL11796525 0.67 TDP1 (0.51) TDP1KMT2AMEN1ALDH1A1TP53
SCHEMBL8100488 0.66 TDP1 (0.76) TDP1KMT2AMEN1ALDH1A1TP53

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-1992015568-A1 BENZENESULFONYLUREA DERIVATIVES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1992-09-17 WO disclosed
WO-1992014728-A1 PYRIDINE SULFONYL UREA DERIVATIVES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1992-09-03 WO disclosed