SCHEMBL6646271

SCHEMBL6646271

COC(=O)COc1nc(C)ncc1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.42
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
SMPD1 P17405 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 2/20 0.39
CA9 Q16790 1/20 0.39
RXRA P19793 2/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 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
SCHEMBL6636970 0.81 BRD4 (0.43) BRD4MAPK1ALDH1A1LMNASMPD1
SCHEMBL6644251 0.81 L3MBTL1 (0.48) BRD4MAPTTDP1L3MBTL1MAPK1
SCHEMBL31499771 0.76 EDNRA (0.48) BRD4MAPTTDP1L3MBTL1MAPK1
SCHEMBL6639480 0.74 TSHR (0.42) MAPTMAPK1ALDH1A1KDM4ELMNA
SCHEMBL21040513 0.74 L3MBTL1 (0.50) BRD4MAPTTDP1L3MBTL1MAPK1
SCHEMBL2116065 0.73 HTT (0.58) BRD4MAPTTDP1L3MBTL1MAPK1
SCHEMBL31562895 0.73 MAPT (0.51) BRD4MAPTTDP1L3MBTL1MAPK1
SCHEMBL810045 0.72 RAB9A (0.63) MAPTL3MBTL1ALDH1A1KDM4ELMNA
SCHEMBL6639288 0.72 L3MBTL1 (0.51) BRD4MAPTTDP1L3MBTL1MAPK1
SCHEMBL30839874 0.72 L3MBTL1 (0.51) BRD4MAPTTDP1L3MBTL1MAPK1

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-1122244-B1 Uracil compounds and their use SUMITOMO CHEMICAL CO (JP) 2004-09-29 EP disclosed
US-6537948-B1 Have a wide range of herbicidal spectrum, and causes no phytotoxicity on crops SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-03-25 US disclosed
EP-1122244-A1 Uracil compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-08-08 EP disclosed