SCHEMBL28601045

SCHEMBL28601045

COC(=O)c1coc(C(CBr)CBr)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
XDH P47989 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
NFKB1 P19838 1/20 0.42
GFER P55789 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
FUT7 Q11130 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CA1 P00915 4/20 0.39
CA2 P00918 4/20 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
SCHEMBL28593396 0.85 CHRM2 (0.39) KDM4ELMNAXDHTDP1POLB
SCHEMBL28327617 0.79 CHRM2 (0.44) KDM4ELMNAXDHTDP1POLB
SCHEMBL4463908 0.79 CHRM2 (0.47) KDM4ELMNAXDHTDP1POLB
SCHEMBL28327620 0.79 LMNA (0.42) KDM4ELMNAXDHTDP1POLB
SCHEMBL6349733 0.76 CHRM2 (0.41) KDM4ELMNAXDHTDP1POLB
SCHEMBL28328897 0.73 ZDHHC7 (0.45) KDM4ELMNAL3MBTL1CHRM2CHRM4
SCHEMBL363238 0.73 CA1 (0.45) KDM4ELMNAXDHTDP1POLB
SCHEMBL110811 0.71 NPC1 (0.53) KDM4ELMNAXDHTDP1POLB
SCHEMBL69256 0.71 CA1 (0.47) KDM4ELMNAXDHTDP1POLB
SCHEMBL4471355 0.70 CA12 (0.42) KDM4ELMNAXDHTDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110305143-B Furan [2,3-c ] pyridine derivative and preparation method and application thereof 济南新科医药科技有限公司 2021-03-09 CN disclosed