SCHEMBL4586124

SCHEMBL4586124

CN1CCN(c2c(C(=O)O)cnc3ccc(C=C4SC(Nc5c(Cl)cccc5Cl)=NC4=O)cc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.45
CSF1R P07333 5/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPK10 P53779 1/20 0.42
MELK Q14680 8/20 0.41
MCHR1 Q99705 1/20 0.39
ALDH1A1 P00352 1/20 0.38
KCNH2 Q12809 1/20 0.37
SCN5A Q14524 1/20 0.37
CISD1 Q9NZ45 1/20 0.37

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
SCHEMBL4585167 0.93 CSF1R (0.51) ENPP2CSF1RMEN1KMT2AMAPK10
SCHEMBL4585846 0.91 MEN1 (0.47) ENPP2MEN1KMT2AMELKALDH1A1
SCHEMBL4585835 0.91 MEN1 (0.47) ENPP2MEN1KMT2AMELKALDH1A1
Trifluoroacetic Acid SCHEMBL2999021 0.90 CSF1R (0.47) ENPP2CSF1RMEN1KMT2AMAPK10
Trifluoroacetic Acid SCHEMBL2999023 0.90 CSF1R (0.47) ENPP2CSF1RMEN1KMT2AMAPK10
SCHEMBL5054187 0.90 MEN1 (0.58) ENPP2CSF1RMEN1KMT2AMAPK10
SCHEMBL2993867 0.90 MEN1 (0.58) ENPP2CSF1RMEN1KMT2AMAPK10
SCHEMBL2993870 0.85 ENPP2 (0.43) ENPP2CSF1RMEN1KMT2AMAPK10
SCHEMBL4585691 0.84 CISD1 (0.41) ENPP2CSF1RMEN1KMT2ACISD1
SCHEMBL4585695 0.84 CISD1 (0.41) ENPP2CSF1RMEN1KMT2ACISD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879563-A4 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-07-16 EP disclosed
EP-1879563-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-01-23 EP disclosed
WO-2006132739-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-14 WO disclosed