SCHEMBL6135832

SCHEMBL6135832

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

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PCNA P12004 4/20 0.45
HSD17B1 P14061 1/20 0.45
HSD17B2 P37059 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PARP10 Q53GL7 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
TPMT P51580 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MGLL Q99685 1/20 0.39

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
SCHEMBL6135835 0.83 TPMT (0.58) SMN1; SMN2PCNAMEN1KMT2APARP10
SCHEMBL4431892 0.83 MAPT (0.48) ALDH1A1HPGDPCNAPARP10CYP3A4
SCHEMBL237992 0.81 CA1 (0.58) ALDH1A1HPGDPCNAMEN1KMT2A
SCHEMBL6135971 0.81 PARP10 (0.45) ALDH1A1HPGDSMN1; SMN2PCNAPARP10
SCHEMBL6135849 0.81 PARP10 (0.62) ALDH1A1PCNAKMT2APARP10CES2
SCHEMBL7561681 0.79 KMT2A (0.47) HPGDSMN1; SMN2PCNAKMT2APARP10
SCHEMBL6136046 0.79 PLK1 (0.60) ALDH1A1HPGDSMN1; SMN2PCNAHSD17B1
SCHEMBL6136040 0.77 NPBWR1 (0.49) ALDH1A1HPGDSMN1; SMN2HSD17B2MEN1
SCHEMBL1659309 0.76 HPGD (0.73) ALDH1A1HPGDSMN1; SMN2HSD17B1HSD17B2
SCHEMBL6536327 0.75 ALDH1A1 (0.40) ALDH1A1HPGDSMN1; SMN2PCNAMEN1

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
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
WO-1997046228-A9 METHOD OF TREATING MALIGNANT TUMORS WITH THYROXINE ANALOGUES HAVING NO SIGNIFICANT HORMONAL ACTIVITY 1998-04-23 WO 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