SCHEMBL4439862

SCHEMBL4439862

COc1ccc2nc(CCN3CCC(NC(=O)O)C(O)C3)c(=O)[nH]c2c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
EGFR P00533 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KCNH2 Q12809 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 3/20 0.39
CYP1A2 P05177 1/20 0.39
CDC7 O00311 1/20 0.38
TPH1 P17752 1/20 0.38
TPH2 Q8IWU9 1/20 0.38
HPGD P15428 1/20 0.38
GSK3B P49841 1/20 0.37
FPR2 P25090 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
SCHEMBL4758202 0.91 POLB (0.43) POLBEGFRSMN1; SMN2NPC1RAB9A
SCHEMBL4441079 0.78 SMN1; SMN2 (0.42) POLBEGFRSMN1; SMN2NPC1RAB9A
SCHEMBL4733245 0.76 NPSR1 (0.46) EGFRSMN1; SMN2NPC1RAB9AEGLN1
SCHEMBL3355219 0.76 KCNH2 (0.66) KCNH2
SCHEMBL3838947 0.74 MPO (0.40) EGFRKCNH2
SCHEMBL5048771 0.71 KCNH2 (0.46) EGFRKCNH2TPH1TPH2
SCHEMBL2685858 0.71 KCNH2 (0.59) KCNH2
SCHEMBL2685861 0.71 KCNH2 (0.59) KCNH2
SCHEMBL2687465 0.71 KCNH2 (0.59) KCNH2
SCHEMBL2687462 0.71 KCNH2 (0.59) KCNH2

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-2121702-A1 2-QUINOLINONE AND 2-QUINOXALINONE- DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS AstraZeneca AB (SE) 2009-11-25 EP disclosed
WO-2008071961-A1 2-QUINOLINONE AND 2-QUINOXALINONE- DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2008-06-19 WO disclosed