SCHEMBL6136046

SCHEMBL6136046

CNC(=O)c1cc(I)c(Oc2ccc(OC)cc2)c(I)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 1/20 0.60
▸ HPGD P15428 2/20 0.53
▸ TSHR P16473 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ PCNA P12004 2/20 0.48
▸ TUBB4A P04350 1/20 0.48
▸ TUBB P07437 1/20 0.48
▸ TUBA3C P0DPH7 1/20 0.48
▸ TUBA1B P68363 1/20 0.48
▸ TUBA4A P68366 1/20 0.48
▸ TUBB4B P68371 1/20 0.48
▸ TUBB3 Q13509 1/20 0.48
▸ TUBB2A Q13885 1/20 0.48
▸ TUBB8 Q3ZCM7 1/20 0.48
▸ TUBA3E Q6PEY2 1/20 0.48
▸ TUBA1A Q71U36 1/20 0.48
▸ TUBA1C Q9BQE3 1/20 0.48
▸ TUBB6 Q9BUF5 1/20 0.48
▸ TUBB2B Q9BVA1 1/20 0.48

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
SCHEMBL237992 0.84 CA1 (0.58) HPGDPCNACYP1A2CYP2C9CYP2C19
SCHEMBL6135835 0.83 TPMT (0.58) SMN1; SMN2PCNAPKMCA1CA2
SCHEMBL4431892 0.83 MAPT (0.48) HPGDPCNATUBB4ATUBBTUBA3C
SCHEMBL6135971 0.81 PARP10 (0.45) HPGDTSHRSMN1; SMN2PCNATUBB4A
SCHEMBL6135849 0.81 PARP10 (0.62) PCNACHEK2HPGDSCA1CA2
SCHEMBL7561681 0.79 KMT2A (0.47) HPGDSMN1; SMN2PCNACYP1A2CYP2C9
SCHEMBL6135832 0.79 ALDH1A1 (0.53) HPGDSMN1; SMN2PCNAHSD17B1HSD17B2
SCHEMBL6536327 0.78 ALDH1A1 (0.40) HPGDHTTSMN1; SMN2PCNACYP1A2
SCHEMBL6136040 0.77 NPBWR1 (0.49) HPGDTSHRSMN1; SMN2HSD17B2CYP1A2
SCHEMBL16126005 0.76 PCNA (0.81) PCNAHSD17B1HSD17B2ALDH1A1

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 10 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
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
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