SCHEMBL13480554

SCHEMBL13480554

CC(=O)NC(Cc1ccccc1)C(O)CN(CC(C)C)S(=O)(=O)c1ccc2ncsc2c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SPPL2A Q8TCT8 2/20 0.55
CYP3A4 P08684 2/20 0.51
MLNR O43193 1/20 0.47
ABCB11 O95342 1/20 0.47
LMNA P02545 1/20 0.47
CTSD P07339 1/20 0.47
CYP3A5 P20815 1/20 0.47
CNR1 P21554 1/20 0.47
TBXAS1 P24557 1/20 0.47
ADRA1A P35348 1/20 0.47
ABCB1 P08183 1/20 0.44
KCNE1 P15382 1/20 0.44
KCNQ1 P51787 1/20 0.44
KCNH2 Q12809 1/20 0.44
SCN5A Q14524 1/20 0.44
KCND3 Q9UK17 1/20 0.44

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
SCHEMBL12435857 0.94 SPPL2A (0.51) SPPL2ACYP3A4MLNRABCB11LMNA
SCHEMBL12434851 0.94 SPPL2A (0.51) SPPL2ACYP3A4MLNRABCB11LMNA
SCHEMBL8248846 0.94 SPPL2A (0.51) SPPL2ACYP3A4MLNRABCB11LMNA
SCHEMBL12434835 0.91 SPPL2A (0.53) SPPL2ACYP3A4MLNRABCB11LMNA
SCHEMBL8238981 0.91 SPPL2A (0.53) SPPL2ACYP3A4MLNRABCB11LMNA
SCHEMBL4972751 0.90 SPPL2A (0.56) SPPL2ACYP3A4MLNRABCB11LMNA
SCHEMBL12156747 0.90 SPPL2A (0.70) SPPL2ACYP3A4MLNRABCB11LMNA
SCHEMBL12157059 0.90 SPPL2A (0.53) SPPL2ACYP3A4MLNRABCB11LMNA
SCHEMBL30718549 0.90 SPPL2A (0.51) SPPL2ACYP3A4MLNRABCB11LMNA
SCHEMBL14338904 0.90 SPPL2A (0.70) SPPL2ACYP3A4MLNRABCB11LMNA

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
US-7659404-B2 Broad spectrum 2-(substituted-amino)-benzothiazole sulfonamide HIV protease inhibitors TIBOTEC PHARMACEUTICALS LTD. (IE) 2010-02-09 US disclosed