SCHEMBL17498069

SCHEMBL17498069

COC(=O)c1c(O)c2c([nH]c1=O)-c1ccc3c(ccn3S(=O)(=O)c3ccc(C)cc3)c1CCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.40
HTR6 P50406 2/20 0.35
TP53 P04637 1/20 0.34
TRIM24 O15164 1/20 0.34
TRIM33 Q9UPN9 1/20 0.34
CYP19A1 P11511 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
MMP2 P08253 1/20 0.33
ANPEP P15144 1/20 0.33
ALOX5 P09917 3/20 0.33
LMNA P02545 2/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 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
SCHEMBL17495144 0.78 SLC1A3 (0.35) USP2HTR6GAAHTTLMNA
SCHEMBL17498206 0.75 HTR6 (0.39) HTR6TP53KDM4ELMNAMAPT
SCHEMBL17498192 0.73 HTR6 (0.44) HTR6KDM4EHTTMMP2ALOX5
SCHEMBL30825266 0.73 HTR6 (0.44) HTR6KDM4EHTTMMP2ALOX5
SCHEMBL17498117 0.72 USP2 (0.38) USP2KDM4EGAAHTTLMNA
SCHEMBL17498084 0.71 BRD4 (0.32) USP2KDM4ELMNAMAPTMEN1
SCHEMBL17498048 0.70 TRIM24 (0.41) HTR6TRIM24TRIM33MMP2MAPT
SCHEMBL31065105 0.70 HTR6 (0.42) HTR6KDM4EGAAALOX5MAPT
SCHEMBL21643762 0.70 HTR6 (0.42) HTR6KDM4EGAAALOX5MAPT
SCHEMBL17498163 0.68 USP2 (0.45) USP2KDM4EGAAHTTLMNA

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
WO-2016025933-A2 SUBSTITUTED POLYCYCLIC ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-02-18 WO disclosed
WO-2016025933-A2 SUBSTITUTED POLYCYCLIC ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-02-18 WO disclosed