SCHEMBL6135849

SCHEMBL6135849

COc1ccc(Oc2c(I)cc(C(N)=O)cc2I)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 8/20 0.62
PARP1 P09874 2/20 0.58
PARP4 Q9UKK3 2/20 0.58
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
PARP2 Q9UGN5 2/20 0.58
BPTF Q12830 1/20 0.52
PARP15 Q460N3 3/20 0.47
ALDH1A1 P00352 2/20 0.47
PARP14 Q460N5 2/20 0.47
KMT2A Q03164 1/20 0.47
PARP16 Q8N5Y8 1/20 0.47
PARP11 Q9NR21 1/20 0.47
MAP4K4 O95819 1/20 0.47
F2 P00734 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
ST14 Q9Y5Y6 1/20 0.44
CHEK2 O96017 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
SCHEMBL4431892 0.85 MAPT (0.48) PARP10PARP1PARP4CA1CA2
SCHEMBL6135835 0.85 TPMT (0.58) PARP10CA1CA2KMT2ACES2
SCHEMBL237992 0.84 CA1 (0.58) PARP10CA1CA2ALDH1A1KMT2A
SCHEMBL6135971 0.84 PARP10 (0.45) PARP10PARP1PARP4CA1CA2
SCHEMBL6136046 0.81 PLK1 (0.60) PARP10CA1CA2ALDH1A1CHEK2
SCHEMBL6135832 0.81 ALDH1A1 (0.53) PARP10CA1CA2ALDH1A1KMT2A
SCHEMBL7561681 0.81 KMT2A (0.47) PARP10BPTFKMT2ACES2CES1
SCHEMBL6136040 0.79 NPBWR1 (0.49) CA1CA2ALDH1A1KMT2AGAA
SCHEMBL6536327 0.77 ALDH1A1 (0.40) PARP10CA1CA2ALDH1A1KMT2A
SCHEMBL5836337 0.77 PARP10 (1.00) PARP10PARP1PARP4CA1CA2

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-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
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