SCHEMBL4586480

SCHEMBL4586480

CC(C)C(=O)Nc1ccc(Cl)c(NC2=NC(=O)C(=Cc3ccc4ncc(C(=O)O)cc4c3)S2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 4/20 0.36
CISD1 Q9NZ45 1/20 0.36
ENPP2 Q13822 2/20 0.34
KDM4E B2RXH2 4/20 0.33
MAPT P10636 3/20 0.33
HDAC4 P56524 2/20 0.33
RECQL P46063 2/20 0.33
NSD2 O96028 1/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
ALOX5 P09917 1/20 0.33
IP6K1 Q92551 1/20 0.32
IP6K3 Q96PC2 1/20 0.32

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
SCHEMBL4587399 0.90 ALDH1A1 (0.38) IGF1RMEN1KMT2AALDH1A1CISD1
Trifluoroacetic Acid SCHEMBL5050802 0.87 CISD1 (0.35) IGF1RMEN1KMT2AALDH1A1CISD1
Trifluoroacetic Acid SCHEMBL2995753 0.87 CISD1 (0.35) IGF1RMEN1KMT2AALDH1A1CISD1
SCHEMBL2996479 0.86 DYRK3 (0.42) IGF1RMEN1KMT2AALDH1A1CISD1
SCHEMBL2996481 0.86 DYRK3 (0.42) IGF1RMEN1KMT2AALDH1A1CISD1
SCHEMBL2994948 0.84 KMT2A (0.41) IGF1RMEN1KMT2AALDH1A1CISD1
SCHEMBL2994951 0.84 KMT2A (0.41) IGF1RMEN1KMT2AALDH1A1CISD1
SCHEMBL4587397 0.84 ALDH1A1 (0.38) IGF1RMEN1KMT2AALDH1A1CISD1
SCHEMBL4587403 0.84 ALDH1A1 (0.38) IGF1RMEN1KMT2AALDH1A1CISD1
Trifluoroacetic Acid SCHEMBL4089200 0.83 DYRK3 (0.39) IGF1RMEN1KMT2AALDH1A1CISD1

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