SCHEMBL9099245

SCHEMBL9099245

CCN(C)c1cccc2cccc(C=O)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 1/20 0.41
CYP2A6 P11509 1/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
THRB P10828 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 7/20 0.33
TSHR P16473 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
HTR2A P28223 1/20 0.33
ALDH1A3 P47895 2/20 0.32
NTSR1 P30989 1/20 0.32
ERN1 O75460 2/20 0.32
HTT P42858 2/20 0.31
TLR2 O60603 1/20 0.31
TLR1 Q15399 1/20 0.31

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
SCHEMBL7280841 0.82 LMNA (0.48) GAACYP2A6MEN1LMNATHRB
SCHEMBL17384923 0.79 KDM4E (0.52) KDM4EGAAMAPTMEN1LMNA
SCHEMBL2489167 0.79 KDM4E (0.45) KDM4EGAAMAPTMEN1LMNA
SCHEMBL3743837 0.78 TDP1 (0.35) MEN1LMNATHRBBLMKMT2A
SCHEMBL29862249 0.77 KDM4E (0.72) KDM4EGAAMAPTLMNATDP1
SCHEMBL7273191 0.74 TDP1 (0.38) KDM4EGAAMAPTCYP2A6MEN1
SCHEMBL9099235 0.73 KDM4E (0.41) KDM4EGAAMAPTALDH1A1SIGMAR1
SCHEMBL981676 0.73 LMNA (0.55) GAACYP2A6MEN1LMNATHRB
SCHEMBL31733135 0.73 MEN1 (0.41) GAACYP2A6MEN1LMNATHRB
SCHEMBL5150666 0.73 MEN1 (0.41) GAACYP2A6MEN1LMNATHRB

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-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-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