SCHEMBL9101634

SCHEMBL9101634

CCN(C)c1ccc(C=O)c2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.37
RET P07949 2/20 0.37
L3MBTL1 Q9Y468 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A3 P47895 1/20 0.36
NPC1 O15118 1/20 0.36
HSP90AA1 P07900 1/20 0.36
IDO1 P14902 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 2/20 0.35
THRB P10828 1/20 0.35
BLM P54132 1/20 0.35
INSR P06213 1/20 0.35
ALDH1A1 P00352 4/20 0.35
IMPDH2 P12268 2/20 0.35
MCL1 Q07820 1/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL11521967 0.86 ALDH1A3 (0.45) TDP1RETL3MBTL1MEN1KMT2A
SCHEMBL2489167 0.83 KDM4E (0.45) TDP1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL29708057 0.82 CHEK1 (0.52) TDP1RETMEN1KMT2AKDM4E
SCHEMBL346454 0.82 CHEK1 (0.52) TDP1RETMEN1KMT2AKDM4E
SCHEMBL7280841 0.80 LMNA (0.48) TDP1L3MBTL1MEN1KMT2AALDH1A3
SCHEMBL9251613 0.79 APAF1 (0.40) TDP1L3MBTL1KDM4EALDH1A3NPC1
SCHEMBL7236844 0.78 KEAP1 (0.37) TDP1L3MBTL1ALDH1A3INSRHTT
SCHEMBL13881145 0.77 SYK (0.36) TDP1RETL3MBTL1MEN1KMT2A
SCHEMBL9249886 0.77 MEN1 (0.39) TDP1RETL3MBTL1MEN1KMT2A
SCHEMBL9252467 0.76 TOP2A (0.42) TDP1RETMEN1KMT2ALMNA

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 11 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
US-5155113-A Administering 5-fluorouracil and derivatives with pyridine and pyridone derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-10-13 US disclosed
EP-0180188-B1 A COMPOSITION FOR INCREASING THE ANTI-CANCER ACTIVITY OF AN ANTI-CANCER COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-04-15 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
EP-0180188-A2 A composition for increasing the anti-cancer activity of an anti-cancer compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-07 EP disclosed