SCHEMBL20199008

SCHEMBL20199008

CCS(=N)(=O)NCCNc1nonc1C(=N)Nc1ccc(F)c(Br)c1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 20/20 0.52
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
TDO2 P48775 1/20 0.50
IDO2 Q6ZQW0 1/20 0.50

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
SCHEMBL20198886 0.94 IDO1 (0.50) IDO1CYP3A4CYP2C9TDO2IDO2
SCHEMBL179211 0.90 IDO1 (0.64) IDO1CYP3A4CYP2C9TDO2IDO2
SCHEMBL20199018 0.89 IDO1 (0.57) IDO1CYP3A4CYP2C9TDO2IDO2
SCHEMBL179190 0.89 IDO1 (0.64) IDO1CYP3A4CYP2C9TDO2IDO2
SCHEMBL29935305 0.89 IDO1 (0.64) IDO1CYP3A4CYP2C9TDO2IDO2
SCHEMBL21538686 0.88 IDO1 (0.49) IDO1CYP3A4CYP2C9TDO2IDO2
SCHEMBL20199012 0.87 IDO1 (0.57) IDO1CYP3A4CYP2C9TDO2IDO2
SCHEMBL20090765 0.87 IDO1 (0.53) IDO1
SCHEMBL179169 0.85 IDO1 (0.57) IDO1CYP3A4CYP2C9TDO2IDO2
SCHEMBL20199014 0.84 IDO1 (0.55) 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