SCHEMBL9101583

SCHEMBL9101583

O=C(Oc1c[c]ncc1I)c1ccco1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 13/20 0.46
HSD17B10 Q99714 3/20 0.46
ALDH1A1 P00352 4/20 0.44
TSHR P16473 2/20 0.44
MAPT P10636 3/20 0.43
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 2/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
TYMS P04818 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
SCHEMBL9098665 0.83 KDM4E (0.46) KDM4EPOLBKMT2AHSD17B10ALDH1A1
SCHEMBL9098225 0.83 KDM4E (0.46) KDM4EPOLBKMT2AHSD17B10ALDH1A1
SCHEMBL9101066 0.83 HTT (0.51) KDM4EPOLBKMT2AHSD17B10ALDH1A1
SCHEMBL9098865 0.78 KMT2A (0.46) KMT2AHSD17B10ALDH1A1TSHRMAPT
SCHEMBL13381577 0.66 KMT2A (0.75) KDM4EKMT2AHSD17B10ALDH1A1TSHR
SCHEMBL18639288 0.66
SCHEMBL9670432 0.66 HTT (0.56) KDM4EPOLBKMT2AHSD17B10ALDH1A1
SCHEMBL2201261 0.66 CES2 (0.62) POLBKMT2AHSD17B10ALDH1A1TSHR
SCHEMBL896787 0.66 CES2 (0.62) KDM4EPOLBKMT2AHSD17B10ALDH1A1
SCHEMBL19084339 0.65 KMT2A (0.71) KDM4EPOLBKMT2AHSD17B10ALDH1A1

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-0323441-B1 5-Fluorouracil derivatives OTSUKA PHARMA CO LTD (JP) 1996-04-24 EP disclosed
EP-0436902-B1 5-Fluorouracil derivatives OTSUKA PHARMA CO LTD (JP) 1995-06-28 EP disclosed
EP-0180897-B1 5-FLUOROURACIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-08-07 EP disclosed
EP-0436902-A1 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-07-17 EP disclosed
US-4983609-A Anticancer agents OTSUKA PHARMACEUTICAL (JP) 1991-01-08 US disclosed
US-4864021-A ANTICARCINOGENIC AGENTS, ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-09-05 US disclosed
EP-0323441-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-07-05 EP disclosed
EP-0180897-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-14 EP disclosed