SCHEMBL4392432

SCHEMBL4392432

NCCCOCCNc1ccc2c(c1)c(=O)c(C(=O)O)cn2C1CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPT P10636 1/20 0.44
TOP2A P11388 3/20 0.44
TOP2B Q02880 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HRH3 Q9Y5N1 1/20 0.42
KCNH2 Q12809 1/20 0.40
PIK3CD O00329 1/20 0.40
PIK3R1 P27986 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CG P48736 1/20 0.40

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
SCHEMBL4907582 0.99 GSK3B (0.44) GSK3BCA1CA2KDM4EALDH1A1
SCHEMBL13591424 0.90 KDM4E (0.43) GSK3BCA1CA2KDM4EALDH1A1
SCHEMBL4388089 0.83 KDM4E (0.43) GSK3BCA1CA2KDM4EALDH1A1
SCHEMBL4387147 0.82 HRH3 (0.48) GSK3BKDM4EALDH1A1LMNAHPGD
SCHEMBL4908453 0.82 KDM4E (0.42) GSK3BCA1CA2KDM4EALDH1A1
SCHEMBL3819280 0.81 KDM4E (0.53) GSK3BCA1CA2KDM4EALDH1A1
SCHEMBL5550927 0.81 KDM4E (0.50) GSK3BCA1CA2KDM4EALDH1A1
SCHEMBL3819196 0.80 KDM4E (0.52) GSK3BCA1CA2KDM4EALDH1A1
SCHEMBL13997267 0.78 KDM4E (0.46) GSK3BCA1CA2KDM4EALDH1A1
SCHEMBL3819773 0.78 KDM4E (0.44) GSK3BCA1CA2KDM4EALDH1A1

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-1628990-B1 NOVEL 14 AND 15 MEMBERED RING COMPOUNDS GLAXO GROUP LTD (GB) 2009-12-02 EP disclosed
US-20070141276-A1 Novel 14 and 15 membered ring compounds GLAXO GROUP LIMITED (GB) 2007-06-21 US disclosed