SCHEMBL7531380

SCHEMBL7531380

O=C(Nc1cccc2ncccc12)c1sccc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
OPRK1 P41145 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TLR9 Q9NR96 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
PABPC1 P11940 4/20 0.51
EIF4H Q15056 4/20 0.51
MCL1 Q07820 1/20 0.51
CLK1 P49759 2/20 0.48
HDAC6 Q9UBN7 1/20 0.48
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL7531401 0.89 KDM4E (0.52) HTTLMNATP53ALOX15TSHR
SCHEMBL7531707 0.85 RECQL (0.60) HTTLMNATSHRMCL1ALDH1A1
SCHEMBL7531709 0.84 SLC40A1 (0.65) HTTLMNAOPRK1NPSR1TDP1
SCHEMBL7530687 0.80 HTT (0.48) HTTTDP1ALDH1A1MEN1KMT2A
SCHEMBL6981434 0.80 CLK1 (0.68) HTTLMNATP53ALOX15TSHR
SCHEMBL7569455 0.80 KDM4E (0.67) HTTTP53ALOX15TSHRNPSR1
SCHEMBL7533688 0.80 PABPC1 (0.56) HTTLMNATDP1PABPC1ALDH1A1
SCHEMBL7531142 0.79 POLB (0.59) LMNATSHRNPSR1TDP1ALDH1A1
SCHEMBL7533592 0.78 METAP2 (0.46) HTTLMNATSHRTDP1ALDH1A1
SCHEMBL7531823 0.77 MAPT (0.55) HTTLMNATSHRNPSR1ALDH1A1

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-2002028353-A2 PHOSPHATE TRANSPORT INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-11 WO claimed