SCHEMBL20199306

SCHEMBL20199306

C#Cc1cc(N/C(=N\O)c2nonc2NCCNSC)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 20/20 0.41
TDO2 P48775 2/20 0.38
IDO2 Q6ZQW0 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL20090737 0.90 IDO1 (0.41) IDO1
SCHEMBL30141344 0.90 IDO1 (0.41) IDO1
SCHEMBL20199267 0.85 IDO1 (0.48) IDO1CYP3A4CYP2C9
SCHEMBL20199121 0.85 IDO1 (0.52) IDO1TDO2IDO2CYP3A4CYP2C9
SCHEMBL30449667 0.85 IDO1 (0.57) IDO1TDO2IDO2CYP3A4CYP2C9
SCHEMBL29042710 0.85 IDO1 (0.57) IDO1TDO2IDO2CYP3A4CYP2C9
SCHEMBL29042716 0.85 IDO1 (0.57) IDO1TDO2IDO2CYP3A4CYP2C9
SCHEMBL30449546 0.85 IDO1 (0.57) IDO1TDO2IDO2CYP3A4CYP2C9
SCHEMBL20199153 0.85 IDO1 (0.49) IDO1TDO2IDO2CYP3A4CYP2C9
SCHEMBL23066860 0.84 IDO1 (0.46) IDO1TDO2IDO2CYP3A4CYP2C9

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