SCHEMBL20199336

SCHEMBL20199336

C#Cc1cc(N/C(=N\O)c2nonc2NCCS(N)(N)CC)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 20/20 0.47
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
TDO2 P48775 1/20 0.42
IDO2 Q6ZQW0 1/20 0.42

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
SCHEMBL23066822 0.89 IDO1 (0.47) IDO1
SCHEMBL23066825 0.89 IDO1 (0.47) IDO1
SCHEMBL23066855 0.87 IDO1 (0.49) IDO1
SCHEMBL20090601 0.87 IDO1 (0.49) IDO1
SCHEMBL23066860 0.85 IDO1 (0.46) IDO1CYP3A4CYP2C9TDO2IDO2
SCHEMBL20199011 0.85 IDO1 (0.46) IDO1CYP3A4CYP2C9TDO2IDO2
SCHEMBL30449546 0.85 IDO1 (0.57) IDO1CYP3A4CYP2C9TDO2IDO2
SCHEMBL30449667 0.85 IDO1 (0.57) IDO1CYP3A4CYP2C9TDO2IDO2
SCHEMBL29042710 0.85 IDO1 (0.57) IDO1CYP3A4CYP2C9TDO2IDO2
SCHEMBL29042716 0.85 IDO1 (0.57) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018095432-A1 SULFOXIMINE, SULFONIMIDAMIDE, SULFONDIIMINE AND DIIMIDOSULFONAMIDE COMPOUNDS AS INHIBITORS OF INDOLEAMINE 2, 3-DIOXYGENASE SHANGHAI FOCHON PHARMACEUTICAL CO., LTD. (CN) 2018-05-31 WO disclosed