SCHEMBL20199189

SCHEMBL20199189

CSNCCNc1nonc1/C(=N/O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.47
ALDH1A1 P00352 2/20 0.40
LMNA P02545 3/20 0.38
MAPT P10636 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
TP53 P04637 3/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
AURKB Q96GD4 1/20 0.38
IKBKB O14920 1/20 0.37
POLB P06746 1/20 0.37
CCR2 P41597 1/20 0.37
CCR5 P51681 1/20 0.37
GAA P10253 2/20 0.37
NPY1R P25929 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL20199139 0.91 IDO1 (0.46) IDO1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL19881740 0.86 ALDH1A1 (0.46) IDO1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL145201 0.85 IDO1 (0.51) IDO1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL30865861 0.85 IDO1 (0.51) IDO1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL145200 0.85 IDO1 (0.51) IDO1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL20199153 0.85 IDO1 (0.49) IDO1
SCHEMBL30449652 0.85 IDO1 (0.49) IDO1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL30448914 0.85 IDO1 (0.49) IDO1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL147069 0.85 IDO1 (0.49) IDO1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL147068 0.85 IDO1 (0.49) IDO1ALDH1A1LMNAMAPTSMN1; SMN2

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