SCHEMBL28822260

SCHEMBL28822260

COC(=O)c1cc(F)c(OC)c(Br)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.42
KDM4E B2RXH2 7/20 0.41
POLB P06746 3/20 0.41
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 2/20 0.39
USP2 O75604 2/20 0.39
HPGD P15428 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
NFKB1 P19838 1/20 0.38
XDH P47989 1/20 0.38
GFER P55789 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
FUT7 Q11130 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NOTUM Q6P988 1/20 0.37
PTPN1 P18031 1/20 0.36

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
SCHEMBL28031715 0.87 SOS1 (0.42) SOS1KDM4EPOLBALDH1A1HSD17B10
SCHEMBL17700276 0.84 KDM4E (0.45) SOS1KDM4EPOLBALDH1A1HSD17B10
SCHEMBL7491095 0.84 SOS1 (0.45) SOS1KDM4EPOLBALDH1A1HSD17B10
SCHEMBL28751092 0.83 SOS1 (0.42) SOS1KDM4EPOLBALDH1A1HSD17B10
SCHEMBL17378795 0.81 SOS1 (0.42) SOS1KDM4EPOLBALDH1A1HSD17B10
SCHEMBL28147538 0.81 KDM4E (0.43) SOS1KDM4EPOLBALDH1A1HSD17B10
SCHEMBL30591264 0.81 KDM4E (0.43) SOS1KDM4EPOLBALDH1A1HSD17B10
SCHEMBL2831221 0.81 KDM4E (0.45) SOS1KDM4EPOLBALDH1A1HSD17B10
SCHEMBL18149676 0.81 SOS1 (0.45) SOS1KDM4EPOLBALDH1A1HSD17B10
SCHEMBL27836202 0.80 KDM4E (0.53) SOS1KDM4EPOLBALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103467294-B The preparation method of a kind of 3-bromo-4-difluoro-methoxy-benzoic acid methyl esters SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2015-09-23 CN disclosed
CN-103467294-B The preparation method of a kind of 3-bromo-4-difluoro-methoxy-benzoic acid methyl esters SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2015-09-23 CN disclosed