SCHEMBL1838744

SCHEMBL1838744

CS(=O)(=O)S(=O)(=O)NCCCNc1nonc1C(=Nc1ccc(F)c(Cl)c1)NO

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 20/20 0.72
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
TDO2 P48775 1/20 0.58
IDO2 Q6ZQW0 1/20 0.58

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
SCHEMBL145499 0.93 IDO1 (0.74) IDO1CYP3A4CYP2C9TDO2IDO2
SCHEMBL146950 0.89 IDO1 (0.90) IDO1CYP3A4CYP2C9TDO2IDO2
SCHEMBL146608 0.87 IDO1 (0.83) IDO1CYP3A4CYP2C9TDO2IDO2
SCHEMBL1834134 0.85 IDO1 (0.86) IDO1CYP3A4CYP2C9TDO2IDO2
SCHEMBL146439 0.84 IDO1 (1.00) IDO1CYP3A4CYP2C9TDO2IDO2
SCHEMBL1838743 0.83 IDO1 (0.49) IDO1CYP3A4CYP2C9TDO2IDO2
SCHEMBL1838742 0.83 IDO1 (0.49) IDO1CYP3A4CYP2C9TDO2IDO2
SCHEMBL19900661 0.83 IDO1 (0.75) IDO1TDO2
SCHEMBL144215 0.83 IDO1 (0.89) IDO1CYP3A4CYP2C9TDO2IDO2
SCHEMBL17312000 0.81 IDO1 (0.75) IDO1CYP3A4CYP2C9TDO2IDO2

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
JP-2011527686-A 2011-11-04 JP claimed
EP-2315756-A2 1,2,5-OXADIAZOLES AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE Incyte Corporation (US) 2011-05-04 EP claimed
WO-2010005958-A2 1,2,5-OXADIAZOLES AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2010-01-14 WO claimed