SCHEMBL4585167

SCHEMBL4585167

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

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 10/20 0.51
ENPP2 Q13822 1/20 0.45
KCNH2 Q12809 2/20 0.43
SCN5A Q14524 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPK10 P53779 1/20 0.42
MELK Q14680 3/20 0.40
MCHR1 Q99705 1/20 0.40
ALDH1A1 P00352 1/20 0.38
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
Trifluoroacetic Acid SCHEMBL2999023 0.95 CSF1R (0.47) CSF1RENPP2KCNH2SCN5AMEN1
Trifluoroacetic Acid SCHEMBL2999021 0.95 CSF1R (0.47) CSF1RENPP2KCNH2SCN5AMEN1
SCHEMBL4586124 0.93 ENPP2 (0.45) CSF1RENPP2KCNH2SCN5AMEN1
SCHEMBL2993867 0.89 MEN1 (0.58) CSF1RENPP2KCNH2SCN5AMEN1
SCHEMBL5054187 0.89 MEN1 (0.58) CSF1RENPP2KCNH2SCN5AMEN1
Trifluoroacetic Acid SCHEMBL2986098 0.86 MEN1 (0.42) CSF1RKCNH2SCN5AMEN1KMT2A
Trifluoroacetic Acid SCHEMBL2986094 0.86 MEN1 (0.42) CSF1RKCNH2SCN5AMEN1KMT2A
SCHEMBL4585835 0.84 MEN1 (0.47) ENPP2MEN1KMT2AMELKALDH1A1
SCHEMBL4585846 0.84 MEN1 (0.47) ENPP2MEN1KMT2AMELKALDH1A1
SCHEMBL2996092 0.82 ENPP2 (0.48) CSF1RENPP2KCNH2SCN5AMCHR1

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