SCHEMBL17498048

SCHEMBL17498048

COC(=O)c1c(OCc2ccccc2)nc2c(c1OCc1ccccc1)CCCc1c-2ccc2c1ccn2S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
MAPT P10636 4/20 0.40
HDAC1 Q13547 2/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HTR6 P50406 6/20 0.37
TDP1 Q9NUW8 1/20 0.36
CD4 P01730 2/20 0.35
BCHE P06276 1/20 0.35
PPARG P37231 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP7 P09237 1/20 0.34
MMP9 P14780 1/20 0.34
MMP12 P39900 1/20 0.34
MMP14 P50281 1/20 0.34
MMP15 P51511 1/20 0.34
MMP16 P51512 1/20 0.34
MMP26 Q9NRE1 1/20 0.34
GBA1 P04062 1/20 0.34

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
SCHEMBL17498183 0.81 MAPT (0.34) MAPTTDP1PPARG
SCHEMBL17498105 0.80 MAPT (0.35) MAPTHTR6TDP1PPARG
SCHEMBL17498143 0.78 MAPT (0.35) MAPTTDP1PPARG
SCHEMBL17498154 0.76 MAPT (0.39) MAPTTDP1PPARG
SCHEMBL17498069 0.70 USP2 (0.40) TRIM24TRIM33MAPTHTR6TDP1
SCHEMBL17498109 0.70 CYP19A1 (0.40) MAPTTDP1
SCHEMBL30984278 0.69 HTR6 (0.49) HDAC1HDAC6HTR6BCHE
SCHEMBL17498131 0.67 MAPT (0.38) MAPTTDP1PPARG
SCHEMBL17498186 0.67 GRM5 (0.33) MAPTPPARG
SCHEMBL17495071 0.66 MAPT (0.44) MAPTTDP1PPARG

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 1 patent. 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