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Dinoterb

Dinoterb

SCHEMBL9706953

CC(C)(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O.CC(C)(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O.CCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O.CCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ HTT P42858 2/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ GALR3 O60755 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ TDP1 Q9NUW8 3/20 0.53
▸ GPR35 Q9HC97 6/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ ALOX15 P16050 2/20 0.43
▸ ALOX12 P18054 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ TTR P02766 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ PMP22 Q01453 1/20 0.43

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
Dinoterb SCHEMBL4658673 1.00 MEN1 (0.56) MEN1KMT2AHTTL3MBTL1GALR3
Dinoterb SCHEMBL11298555 0.95 TDP1 (0.52) MEN1KMT2AHTTL3MBTL1GALR3
Dinoseb SCHEMBL8534879 0.89 TDP1 (0.62) MEN1KMT2AHTTL3MBTL1GALR3
Dinoseb SCHEMBL54664 0.89 TDP1 (0.62) MEN1KMT2AHTTL3MBTL1GALR3
Dinoseb SCHEMBL29365762 0.89 TDP1 (0.62) MEN1KMT2AHTTL3MBTL1GALR3
Dinoseb SCHEMBL8599234 0.89 SMN1; SMN2 (0.49) MEN1KMT2AHTTL3MBTL1GALR3
Dinoseb SCHEMBL29400673 0.88 TDP1 (0.61) MEN1KMT2AHTTL3MBTL1GALR3
Dinoseb SCHEMBL5933971 0.88 TDP1 (0.61) MEN1KMT2AHTTL3MBTL1GALR3
Dinoseb SCHEMBL9949230 0.88 TDP1 (0.61) MEN1KMT2AHTTL3MBTL1GALR3
Dinoseb SCHEMBL11790365 0.86 TDP1 (0.57) MEN1KMT2AHTTL3MBTL1GALR3

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
WO-1992010501-A1 HERBICIDAL ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-06-25 — — WO disclosed