SCHEMBL6532982

SCHEMBL6532982

O=S(=O)(O)c1c(O)cccc1I

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALOX12 P18054 1/20 0.36
MAOA P21397 2/20 0.35
CDK2 P24941 2/20 0.35
ALDH1A1 P00352 5/20 0.35
HSD17B10 Q99714 5/20 0.35
TDP1 Q9NUW8 5/20 0.35
LMNA P02545 4/20 0.35
CA2 P00918 4/20 0.35
ALOX15 P16050 4/20 0.35
HPGD P15428 3/20 0.35
CA1 P00915 2/20 0.35
EGFR P00533 2/20 0.35
FYN P06241 2/20 0.35
MMP9 P14780 2/20 0.35
RECQL P46063 2/20 0.35
ADAMTS4 O75173 1/20 0.35
MMP2 P08253 1/20 0.35

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
SCHEMBL3134540 0.86 TSHR (0.40) KDM4EALDH1A1HSD17B10TDP1LMNA
SCHEMBL582872 0.84 ALDH1A1 (0.43) AURKAAURKBKDM4EALOX12MAOA
SCHEMBL3776131 0.83 CDK2 (0.44) MAOACDK2ALDH1A1HSD17B10TDP1
SCHEMBL5432881 0.81 AURKA (0.41) AURKAAURKBKDM4EALOX12MAOA
SCHEMBL2846139 0.80 DAPK1 (0.37) KDM4EMAOAALDH1A1HSD17B10TDP1
SCHEMBL359454 0.77 AURKA (0.47) AURKAAURKBKDM4EALOX12MAOA
SCHEMBL10797668 0.77 TTR (0.46) AURKAAURKBALDH1A1HSD17B10TDP1
SCHEMBL27322855 0.77 TDP1 (0.36) KDM4EALDH1A1HSD17B10TDP1HPGD
SCHEMBL4163078 0.77 MAOA (0.43) AURKAAURKBKDM4EALOX12MAOA
Ammonia Solution, Strong SCHEMBL10891448 0.76 AURKA (0.46) AURKAAURKBKDM4EALOX12MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1083937-A1 RADIOIOINATED PHENOLS FOR BRACHYTHERAPY THE DOW CHEMICAL COMPANY (US) 2001-03-21 EP disclosed
WO-1999062564-A1 RADIOIODINATED PHENOLS FOR BRACHYTHERAPY THE DOW CHEMICAL COMPANY (US) 1999-12-09 WO disclosed
US-798807-A INDOPHENOL SULFONIC ACIDS AND PROCESS OF MAKING SAME. OEHLER ANILIN & ANILINFARBEN FABRIK K (DE) 1905-09-05 US disclosed