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Terbacil

Terbacil

SCHEMBL9675980

CCCCOCN(C(=O)CCl)c1c(C)cccc1C(C)(C)C.CCCCOCN(C(=O)CCl)c1c(C)cccc1C(C)(C)C.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 0.48

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Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ TP53 P04637 4/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ NR1I2 O75469 1/20 0.34
▸ NPC1 O15118 1/20 0.30
▸ GPX4 P36969 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ PAX8 Q06710 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
Terbuthylazine SCHEMBL9702935 0.88 TDP1 (0.38) TDP1MEN1KMT2ATP53ALDH1A1
Tebuthiuron SCHEMBL9715149 0.86 TDP1 (0.36) TDP1MEN1KMT2ATP53ALDH1A1
SCHEMBL135983 0.84 TDP1 (0.65) TDP1MEN1KMT2ATP53ALDH1A1
SCHEMBL29634930 0.84 TDP1 (0.65) TDP1MEN1KMT2ATP53ALDH1A1
SCHEMBL8534756 0.84 TDP1 (0.65) TDP1MEN1KMT2ATP53ALDH1A1
SCHEMBL11796525 0.76 TDP1 (0.51) TDP1MEN1KMT2ATP53ALDH1A1
SCHEMBL8100488 0.75 TDP1 (0.76) TDP1MEN1KMT2ATP53ALDH1A1
SCHEMBL27260855 0.72 TDP1 (0.68) TDP1MEN1KMT2ATP53ALDH1A1
SCHEMBL11233514 0.71 TDP1 (0.59) TDP1MEN1KMT2ATP53ALDH1A1
SCHEMBL8201328 0.70 TP53 (0.59) TDP1MEN1KMT2ATP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0463054-A1 SELECTIVE OXABICYCLOALKANES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-01-02 — — EP disclosed
EP-0457802-A1 HERBICIDAL OXABICYCLONONANE ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-11-27 — — EP disclosed
WO-1991010653-A1 HERBICIDAL PYRIMIDINES AND TRIAZINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-07-25 — — WO disclosed
WO-1991010668-A1 HERBICIDAL SULFONYLUREAS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-07-25 — — WO disclosed
WO-1991003464-A1 HERBICIDAL OXABICYCLO ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-03-21 — — WO disclosed
WO-1990012012-A1 SUBSTITUTED PHENYLTRIAZOLOPYRIMIDINE HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-10-18 — — WO disclosed
WO-1990010634-A1 SELECTIVE OXABICYCLOALKANES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-09-20 — — WO disclosed
WO-1990009383-A1 HERBICIDAL OXABICYCLONONANE ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-08-23 — — WO disclosed