SCHEMBL7361574

SCHEMBL7361574

O=c1c2ccc(O)c(O)c2sc2c(O)c(O)c(O)c(O)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP1A1 P05023 3/20 0.39
ATP1B1 P05026 3/20 0.39
ATP1A3 P13637 3/20 0.39
ATP1B2 P14415 3/20 0.39
ATP1A2 P50993 3/20 0.39
ATP1B3 P54709 3/20 0.39
FXYD2 P54710 3/20 0.39
ATP1A4 Q13733 3/20 0.39
NUDT1 P36639 1/20 0.39
ACE P12821 2/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
APEX1 P27695 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL7362351 0.79 ATP1A1 (0.43) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL3885289 0.76 ATP1A1 (0.38) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL30017741 0.75 MAOA (0.42) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL21624271 0.75 MAOA (0.42) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL30017926 0.70 ALDH1A1 (0.53) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL21624254 0.70 ALDH1A1 (0.53) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL19006597 0.65 PIM1 (0.41) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL7366827 0.65 MAPT (0.36) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL7238197 0.64 ATP1A1 (0.72) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL21403378 0.63 PIM1 (0.39) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888052-A4 XANTHONE ANALOGS FOR THE TREATMENT OF INFECTIOUS DISEASES INTERLAB CORP (US) 2002-05-22 EP disclosed
EP-0888052-A1 XANTHONE ANALOGS FOR THE TREATMENT OF INFECTIOUS DISEASES INTERLAB CORPORATION (US) 1999-01-07 EP disclosed
WO-1997034482-A1 XANTHONE ANALOGS FOR THE TREATMENT OF INFECTIOUS DISEASES INTERLAB CORP. (US) 1997-09-25 WO disclosed