SCHEMBL518440

SCHEMBL518440

NS(=O)(=O)c1cc(O)c2ccc3c(S(=O)(=O)O)cc(S(=O)(=O)O)c4ccc1c2c34.[NaH].[NaH].[NaH]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPL P40238 6/20 0.44
NT5E P21589 2/20 0.43
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
CYP1A2 P05177 1/20 0.42
HSD17B10 Q99714 3/20 0.40
CYP2C9 P11712 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TP53 P04637 2/20 0.40
CYP3A4 P08684 2/20 0.40
MAPT P10636 2/20 0.40
THRB P10828 2/20 0.40
HPGD P15428 2/20 0.40
ALOX15 P16050 2/20 0.40
MAPK1 P28482 2/20 0.40
BRCA1 P38398 2/20 0.40
RECQL P46063 2/20 0.40
BLM P54132 2/20 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
SCHEMBL29110854 0.94 MPL (0.47) MPLNT5EAURKAAURKBCYP1A2
SCHEMBL592364 0.94 MPL (0.47) MPLNT5EAURKAAURKBCYP1A2
SCHEMBL1673092 0.94 MPL (0.47) MPLNT5EAURKAAURKBCYP1A2
SCHEMBL112192 0.93 MPL (0.49) MPLNT5EAURKAAURKBCYP1A2
SCHEMBL29431679 0.93 MPL (0.49) MPLNT5EAURKAAURKBCYP1A2
SCHEMBL217202 0.91 MPL (0.47) MPLNT5EAURKAAURKBCYP1A2
SCHEMBL31344266 0.91 MPL (0.47) MPLNT5EAURKAAURKBCYP1A2
SCHEMBL2776938 0.91 MPL (0.47) MPLNT5EAURKAAURKBCYP1A2
SCHEMBL590946 0.91 MPL (0.47) MPLNT5EAURKAAURKBCYP1A2
SCHEMBL15523070 0.91 MPL (0.47) MPLNT5EAURKAAURKBCYP1A2

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
US-8470365-B2 Process for preparation of anti-tubercular combination and pharmaceutical composition prepared therefrom TAIWAN BIOTECH CO., LTD. (TW) 2013-06-25 US disclosed
US-20120027853-A1 PROCESS FOR PREPARATION OF ANTI-TUBERCULAR COMBINATION AND PHARMACEUTICAL COMPOSITION PREPARED THEREFROM TAIWAN BIOTECH CO., LTD. (TW) 2012-02-02 US disclosed