SCHEMBL6135845

SCHEMBL6135845

COC(=O)c1cc([N+](=O)[O-])c(Oc2ccc(OC)cc2Cl)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
POLB P06746 3/20 0.56
TDP1 Q9NUW8 1/20 0.56
ALDH1A1 P00352 4/20 0.51
LMNA P02545 4/20 0.51
HPGD P15428 3/20 0.51
MAPK1 P28482 3/20 0.51
RAF1 P04049 1/20 0.51
GFER P55789 1/20 0.51
PAX8 Q06710 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
VCAM1 P19320 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
SCHEMBL8099862 0.89 MAPT (0.54) MAPTTDP1ALDH1A1LMNAHPGD
SCHEMBL6534873 0.83 MAPT (0.61) MAPTPOLBALDH1A1LMNAHPGD
SCHEMBL11276396 0.81 TDP1 (0.83) MAPTPOLBTDP1ALDH1A1LMNA
SCHEMBL6135758 0.80 KMT2A (0.44) MAPTPOLBTDP1ALDH1A1LMNA
SCHEMBL4892239 0.78 TPMT (0.56) MAPTPOLBALDH1A1LMNAHPGD
SCHEMBL5216905 0.76 TPMT (0.64) MAPTPOLBALDH1A1LMNAHPGD
SCHEMBL11540771 0.76 POLB (0.61) MAPTPOLBTDP1ALDH1A1LMNA
SCHEMBL8462586 0.75 TPMT (0.59) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL30740961 0.75 TPMT (0.59) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL3137542 0.75 HPGD (0.66) MAPTTDP1ALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0954299-B1 THYROXINE ANALOGUES HAVING NO SIGNIFICANT HORMONAL ACTIVITY FOR TREATING MALIGNANT TUMOURS OCTAMER INC (US) 2005-07-27 EP disclosed
US-6326402-B1 AROMATIC ESTER COMPOUND OCTAMER, INC. 2001-12-04 US disclosed
US-6303621-B1 ADMINISTERING DIIODO THYRONINE ANALOGUE HAVING NO SIGNIFICANT HORMONAL ACTIVITY AND A VINCA ALKALOID SELECTED FROM LEUROSINE, VINCALEUKOBLASTINE, VINBLASTINE, LEUROFORMINE, LEUROSIDINE, LEUROCRISTINE, VINCRISTINE, DEOXY VINBLASTINE OCTAMER, INC. 2001-10-16 US disclosed
EP-0954299-A4 METHOD OF TREATING MALIGNANT TUMORS WITH THYROXINE ANALOGUES HAVING NO SIGNIFICANT HORMONAL ACTIVITY OCTAMER INC (US) 2000-09-06 EP disclosed
WO-2000009114-A1 METHODS FOR TREATING VIRAL INFECTIONS USING A COMPOUND CAPABLE OF INHIBITING MICROTUBULES OCTAMER, INC. (US) 2000-02-24 WO disclosed
US-6017958-A A THERAPEUTIC TREATMENT USING A METHYL ALKYLOXY- OR THIO-PHENYL BENZOATE, AS POTENT, SELECTIVE AND NON-TOXIC ANTI-TUMOR AGENTS FOR TREATING CANCER OCTAMER, INC. (US) 2000-01-25 US disclosed
EP-0954299-A1 METHOD OF TREATING MALIGNANT TUMORS WITH THYROXINE ANALOGUES HAVING NO SIGNIFICANT HORMONAL ACTIVITY Octamer, Inc. (US) 1999-11-10 EP disclosed
US-5736576-A ADMINISTERING METHYL 3,5-DIIODO-4-(4*-METHOXYPHENOXY)BENZOATE OCTAMER, INC. (US) 1998-04-07 US disclosed
WO-1997046228-A1 METHOD OF TREATING MALIGNANT TUMORS WITH THYROXINE ANALOGUES HAVING NO SIGNIFICANT HORMONAL ACTIVITY OCTAMER, INC. (US) 1997-12-11 WO disclosed