SCHEMBL6924982

SCHEMBL6924982

CCCCCC(=O)NNC(=O)OCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
EPHX2 P34913 1/20 0.56
POLB P06746 2/20 0.55
TDP1 Q9NUW8 2/20 0.52
KDM4E B2RXH2 1/20 0.52
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
HTT P42858 1/20 0.51
SIRT2 Q8IXJ6 4/20 0.50
SIRT1 Q96EB6 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HDAC3 O15379 1/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SIRT3 Q9NTG7 1/20 0.49

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
SCHEMBL28204578 0.88 KMT2A (0.58) MEN1KMT2AEPHX2TDP1KDM4E
SCHEMBL1904207 0.85 HTT (0.66) MEN1KMT2APOLBHTTHDAC3
SCHEMBL27404387 0.83 HTT (0.64) MEN1KMT2AEPHX2HTTSIRT2
SCHEMBL7094107 0.83 EPHX2 (0.62) MEN1KMT2AEPHX2HTTSIRT2
SCHEMBL26357994 0.83 CA12 (0.58) KMT2APOLBHTTALDH1A1L3MBTL1
SCHEMBL28634272 0.81 HTT (0.60) POLBKDM4EHTTALDH1A1MAPK1
SCHEMBL9164909 0.81 MEN1 (0.54) MEN1KMT2AEPHX2POLBALDH1A1
SCHEMBL21814592 0.81 MEN1 (0.47) MEN1KMT2APOLBHTTHDAC3
SCHEMBL2295789 0.80 CA12 (0.66) KMT2APOLBTDP1HTTALDH1A1
SCHEMBL7385160 0.80 HTT (0.76) MEN1KMT2AHTTHDAC3CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107082747-A Conveyed for targeted drug and strengthen the compound of siRNA activity 日东电工株式会社 2017-08-22 CN disclosed
CN-107043334-A Conveyed for targeted drug and strengthen the compound of siRNA activity 日东电工株式会社 2017-08-15 CN disclosed
WO-2003099810-A2 RADIOPHARMACEUTICALS FOR IMAGING INFECTION AND INFLAMMATION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2003-12-04 WO disclosed
EP-1347784-A2 SIMULTANEOUS DUAL ISOTOPE IMAGING OF CARDIAC PERFUSION AND CARDIAC INFLAMMATION Bristol-Myers Squibb Pharma Company (US) 2003-10-01 EP disclosed
WO-2002036173-A2 SIMULTANEOUS DUAL ISOTOPE IMAGING OF CARDIAC PERFUSION AND CARDIAC INFLAMMATION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-05-10 WO disclosed
EP-0999856-A2 RADIOPHARMACEUTICALS FOR IMAGING INFECTION AND INFLAMMATION Du Pont Pharmaceuticals Company (US) 2000-05-17 EP disclosed
WO-1998015295-A2 RADIOPHARMACEUTICALS FOR IMAGING INFECTION AND INFLAMMATION DUPONT PHARMACEUTICALS COMPANY (US) 1998-04-16 WO disclosed