SCHEMBL6946739

SCHEMBL6946739

COc1ccc(CNCCc2ccccc2)c(CO)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.58
KMT2A Q03164 6/20 0.58
ATM Q13315 1/20 0.58
BCHE P06276 6/20 0.53
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
SLC6A5 Q9Y345 1/20 0.51
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HTR2A P28223 1/20 0.50
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
MPO P05164 1/20 0.49
GPBAR1 Q8TDU6 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL10032817 0.83 HTR2A (0.62) MEN1KMT2AATMBCHEKDM4E
SCHEMBL10032816 0.76 MEN1 (0.85) MEN1KMT2AATMBCHECA1
SCHEMBL12131075 0.76 MEN1 (0.85) MEN1KMT2AATMBCHECA1
SCHEMBL7503765 0.76 HTR2A (0.59) MEN1KMT2AATMBCHEHTR2A
SCHEMBL6946746 0.75 NPC1 (0.58) MEN1KMT2ASLC6A5KDM4EMTNR1A
SCHEMBL10032820 0.75 BCHE (0.64) MEN1KMT2AATMBCHEKDM4E
SCHEMBL6806326 0.75 HTR2A (0.62) MEN1KMT2AATMBCHEHTR2A
Perchlorate SCHEMBL7325314 0.74 HTR2A (0.47) MEN1KMT2AATMBCHECA1
SCHEMBL4614753 0.74 MEN1 (0.71) MEN1KMT2AATMBCHEKDM4E
SCHEMBL29194688 0.74 BCHE (0.80) MEN1KMT2AATMBCHEKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0674623-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-04-09 EP disclosed
US-6403578-B1 ANTICOAGULANTS, CARDIOVASCULAR DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-06-11 US disclosed
EP-0674623-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-10-04 EP disclosed
WO-1994014776-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-07-07 WO disclosed