SCHEMBL4698391

SCHEMBL4698391

CCOC(=O)c1c(Cl)c2cc(F)cc(Cc3ccccn3)c2[nH]c1=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 1/20 0.42
RAB9A P51151 1/20 0.41
ALOX5 P09917 8/20 0.38
PTGES O14684 5/20 0.38
POLB P06746 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAP3K5 Q99683 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
S1PR3 Q99500 1/20 0.37
KDM5A P29375 1/20 0.37
KDM5B Q9UGL1 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
SCHEMBL4700777 0.85 PDE3B (0.47) CSF1RRAB9AALOX5PTGESALDH1A1
SCHEMBL4700724 0.77 PDE3B (0.49) CSF1RRAB9AALOX5PTGESALDH1A1
SCHEMBL4703141 0.75 ALOX5 (0.49) ALOX5PTGESALDH1A1SMN1; SMN2KDM4E
SCHEMBL4856086 0.71 DAO (0.45) CSF1RPTGESALDH1A1KDM4EKDM5A
SCHEMBL4751504 0.71 L3MBTL1 (0.50) ALDH1A1SMN1; SMN2MAPTKDM4ES1PR3
SCHEMBL1055294 0.71 KDM5A (0.49) CSF1RRAB9AALOX5POLBALDH1A1
SCHEMBL1057337 0.71 CSF1R (0.56) CSF1RALOX5POLBALDH1A1SMN1; SMN2
SCHEMBL4699400 0.71 CSF1R (0.53) CSF1RALOX5PTGESPOLBALDH1A1
SCHEMBL5500146 0.70 KDM5A (0.44) ALOX5PTGESALDH1A1MEN1KMT2A
SCHEMBL1061379 0.68 KDM4E (0.64) CSF1RRAB9AALOX5POLBALDH1A1

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-1996553-A2 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES Avanir Pharmaceuticals (US) 2008-12-03 EP disclosed
WO-2007109251-A2 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES AVANIR PHARMACEUTICALS (US) 2007-09-27 WO disclosed