SCHEMBL7794514

SCHEMBL7794514

Brc1ccc2[c]ccc(Br)c2c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.33
HSP90AA1 P07900 1/20 0.32
TLR9 Q9NR96 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTT P42858 1/20 0.32
JAK2 O60674 2/20 0.31
CHEK1 O14757 1/20 0.31
AURKA O14965 1/20 0.31
DAPK3 O43293 1/20 0.31
PRKD3 O94806 1/20 0.31
MAP4K4 O95819 1/20 0.31
PAK4 O96013 1/20 0.31
ABL1 P00519 1/20 0.31
NTRK1 P04629 1/20 0.31
CSF1R P07333 1/20 0.31
RET P07949 1/20 0.31
MET P08581 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
SCHEMBL629844 0.73 CYP1A2 (0.31)
SCHEMBL6152174 0.73 CYP1A2 (0.31)
SCHEMBL1921786 0.71 TP53 (0.30)
SCHEMBL2289465 0.71 CYP2A6 (0.35) ALDH1A1
SCHEMBL7434824 0.70 ALOX15 (0.33) ALOX15HSP90AA1TLR9ALDH1A1MAPK1
SCHEMBL20356136 0.66 HSP90AA1 (0.46) ALOX15HSP90AA1TLR9ALDH1A1MAPK1
SCHEMBL1091796 0.65 CYP2A6 (0.38) ALDH1A1HTTJAK2CHEK1AURKA
SCHEMBL646094 0.65 CYP2A6 (0.48) ALDH1A1HTTAHR
SCHEMBL1496286 0.63 HTT (0.46) HTTCHEK1PIM1FLT3GSK3A
SCHEMBL220753 0.62 PARP1 (0.35) AHR

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
EP-1155698-A1 ORGANOBORON COMPOUNDS EXHIBITING ANTICOCCIDIAL ACTIVITIES Nitto Kasei Co., Ltd. (JP) 2001-11-21 EP disclosed