SCHEMBL3830822

SCHEMBL3830822

C=Cc1c(Cl)ccc2ccc(OC)nc12.COc1ccc2ncc(Cl)c(Br)c2c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 6/20 0.33
CYP11B1 P15538 6/20 0.33
CYP11B2 P19099 6/20 0.33
PDE2A O00408 1/20 0.33
PDE10A Q9Y233 1/20 0.33
SRC P12931 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.32
MAPK3 P27361 1/20 0.32
CYP3A4 P08684 2/20 0.32
KDM4E B2RXH2 2/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HPGDS O60760 1/20 0.31

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
SCHEMBL29923658 0.79 SRC (0.45) SRCSMN1; SMN2TP53KDM4EMAPK1
SCHEMBL2998324 0.79 SRC (0.45) SRCSMN1; SMN2TP53KDM4EMAPK1
SCHEMBL3278550 0.78 MTNR1A (0.36) SMN1; SMN2MAPK1NPSR1
SCHEMBL3272172 0.75 KCNH2 (0.35) PDE2APDE10A
SCHEMBL3243876 0.75 SRC (0.43) SRCSMN1; SMN2TP53KDM4EMAPK1
SCHEMBL5263274 0.73 CSF1R (0.34) PDE2APDE10ANPSR1
SCHEMBL3828983 0.72 KDM4E (0.42) CYP17A1CYP11B1CYP11B2SRCSMN1; SMN2
SCHEMBL29692882 0.71 EGFR (0.41) PDE2APDE10A
SCHEMBL1075499 0.71 EGFR (0.41) PDE2APDE10A
SCHEMBL5749051 0.70 KDM4E (0.42) SMN1; SMN2TP53KDM4EMAPK1NPSR1

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-1796466-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2009-09-02 EP disclosed
EP-1796466-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-06-20 EP disclosed
WO-2006002047-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2006-01-05 WO disclosed