SCHEMBL6024765

SCHEMBL6024765

CCOC(=O)Cc1ccc(Br)cc1CC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
TP53 P04637 1/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
S1PR4 O95977 1/20 0.44
LMNA P02545 1/20 0.44
S1PR1 P21453 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
JAK2 O60674 1/20 0.42
PAK4 O96013 1/20 0.42
NTRK1 P04629 1/20 0.42
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
CSF1R P07333 1/20 0.42
RET P07949 1/20 0.42
MET P08581 1/20 0.42
PDGFRB P09619 1/20 0.42

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
SCHEMBL31053271 0.87 KMT2A (0.47) MAPTTP53KMT2AMEN1S1PR4
SCHEMBL20772934 0.87 KMT2A (0.47) MAPTTP53KMT2AMEN1S1PR4
SCHEMBL21437928 0.85 EGFR (0.46) MAPTTP53KMT2AMEN1S1PR4
SCHEMBL29853167 0.85 EGFR (0.46) MAPTTP53KMT2AMEN1S1PR4
SCHEMBL2556992 0.85 EGFR (0.56) MAPTTP53KMT2AMEN1S1PR4
SCHEMBL20561914 0.85 HPGD (0.41) MAPTTP53KMT2AMEN1MAPK1
SCHEMBL2294386 0.84 MAPT (0.43) MAPTTP53KMT2AMEN1S1PR4
SCHEMBL1680849 0.84 ALDH1A1 (0.45) MAPTTP53KMT2AMEN1S1PR4
SCHEMBL12069886 0.84 MAPT (0.44) MAPTTP53KMT2AMEN1S1PR4
SCHEMBL18524117 0.84 MAPT (0.43) MAPTTP53KMT2AMEN1S1PR4

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
EP-1692111-A2 QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE Wyeth, A Corporation of the State of Delaware (US) 2006-08-23 EP disclosed
WO-2005058834-A2 QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE WYETH (US) 2005-06-30 WO disclosed