SCHEMBL20187585

SCHEMBL20187585

CC(=O)c1cc2c(o1)C(=O)c1ccc(Br)c(O)c1C2=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 6/20 0.63
ALDH1A1 P00352 6/20 0.56
MAPT P10636 7/20 0.37
LMNA P02545 2/20 0.37
MITF O75030 2/20 0.37
HTT P42858 2/20 0.37
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
KDM4E B2RXH2 4/20 0.36
HSD17B10 Q99714 4/20 0.36
GAA P10253 2/20 0.36
ALOX12 P18054 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 3/20 0.35
BRCA1 P38398 2/20 0.35
CYP3A4 P08684 2/20 0.35

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
SCHEMBL20189094 0.96 STAT3 (0.58) STAT3ALDH1A1MAPTLMNAMITF
SCHEMBL20187544 0.83 STAT3 (0.63) STAT3ALDH1A1MAPTLMNAMITF
SCHEMBL20187614 0.80 STAT3 (0.58) STAT3ALDH1A1MAPTLMNAMITF
SCHEMBL20187659 0.78 STAT3 (0.56) STAT3ALDH1A1GAAELANE
SCHEMBL20187597 0.78 STAT3 (0.56) STAT3ALDH1A1MAPTLMNAHTT
SCHEMBL20188782 0.78 STAT3 (0.50) STAT3ALDH1A1MAPTLMNAMITF
SCHEMBL20196459 0.78 STAT3 (0.67) STAT3ALDH1A1MAPTLMNAMITF
SCHEMBL1450113 0.77 STAT3 (1.00) STAT3ALDH1A1MAPTLMNAMITF
SCHEMBL20191214 0.76 STAT3 (0.54) STAT3ALDH1A1MAPTLMNAMITF
SCHEMBL20187658 0.74 STAT3 (0.58) STAT3ALDH1A1MAPTLMNAHTT

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
WO-2018096401-A1 NEW NAPHTHO[2,3-B]FURAN DERIVATIVES BAN HITOSHI (JP) 2018-05-31 WO claimed
WO-2018096401-A1 NEW NAPHTHO[2,3-B]FURAN DERIVATIVES BAN HITOSHI (JP) 2018-05-31 WO disclosed