SCHEMBL20199330

SCHEMBL20199330

CCS(=N)(=O)NCCCNc1nonc1C(=N)Nc1ccc(F)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 12/20 0.44
SMN1; SMN2 Q16637 3/20 0.40
TSHR P16473 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 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
SCHEMBL179222 0.91 IDO1 (0.46) IDO1SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL20198892 0.89 IDO1 (0.49) IDO1CYP3A4CYP2C9
SCHEMBL20198886 0.89 IDO1 (0.50) IDO1CYP3A4CYP2C9
SCHEMBL179217 0.89 IDO1 (0.56) IDO1CYP3A4CYP2C9
SCHEMBL20198906 0.86 IDO1 (0.50) IDO1SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL2757625 0.85 IDO1 (0.52) IDO1SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL20198887 0.84 IDO1 (0.54) IDO1SMN1; SMN2CYP3A4CYP2C9
SCHEMBL20199008 0.83 IDO1 (0.52) IDO1CYP3A4CYP2C9
SCHEMBL179218 0.83 IDO1 (0.62) IDO1CYP3A4CYP2C9
SCHEMBL20653655 0.81 IDO1 (0.46) IDO1SMN1; SMN2TSHRMEN1KMT2A

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