SCHEMBL6685563

SCHEMBL6685563

O=C(OS)OC(=O)SCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 10/20 0.51
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CYP2C19 P33261 1/20 0.40
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL7081788 0.85 IDO1 (0.61) IDO1NOS3NOS1NOS2TDP1
SCHEMBL6684101 0.83 IDO1 (0.49) IDO1NOS3NOS1NOS2TDP1
SCHEMBL6831249 0.82 IDO1 (0.54) IDO1NOS3NOS1NOS2TDP1
SCHEMBL6684302 0.82 IDO1 (0.57) IDO1NOS3NOS1NOS2TDP1
SCHEMBL6683462 0.81 IDO1 (0.50) IDO1NOS3NOS1NOS2TDP1
SCHEMBL6685212 0.79 IDO1 (0.51) IDO1NOS3NOS1NOS2TDP1
SCHEMBL6684071 0.77 IDO1 (0.53) IDO1NOS3NOS1NOS2TDP1
SCHEMBL6830311 0.74 IDO1 (0.47) IDO1NOS3NOS1NOS2TDP1
SCHEMBL7079169 0.73 HPGD (0.36) TDP1L3MBTL1CA12CA1CA2
SCHEMBL1722103 0.73 IDO1 (0.65) IDO1NOS3NOS1NOS2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1472319-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2004-11-03 EP disclosed
WO-2004065305-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE UNIVERSITY OF DAYTON (US) 2004-08-05 WO disclosed
WO-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed