SCHEMBL28397369

SCHEMBL28397369

CCOC(=O)c1nc(CNC(=O)O)sc1CC

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 5/20 0.42
CYP1A2 P05177 1/20 0.42
GAA P10253 1/20 0.41
MAPT P10636 3/20 0.38
LMNA P02545 3/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 2/20 0.37
TSHR P16473 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.36
ILK Q13418 1/20 0.36
NPC1 O15118 1/20 0.36
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL28391826 0.89 FBP1 (0.45) MEN1KMT2AALDH1A1CYP1A2GAA
SCHEMBL28391823 0.87 MEN1 (0.39) MEN1KMT2AALDH1A1CYP1A2GAA
SCHEMBL28959134 0.85 MEN1 (0.53) MEN1KMT2AALDH1A1CYP1A2GAA
SCHEMBL20743496 0.84 ALDH1A1 (0.37) L3MBTL1MEN1KMT2AALDH1A1CYP1A2
SCHEMBL28888834 0.83 MEN1 (0.53) L3MBTL1MEN1KMT2AALDH1A1CYP1A2
SCHEMBL20743939 0.83 ALDH1A1 (0.40) L3MBTL1MEN1KMT2AALDH1A1CYP1A2
SCHEMBL28397669 0.83 MEN1 (0.48) MEN1KMT2AALDH1A1CYP1A2GAA
SCHEMBL28397631 0.83 MEN1 (0.42) MEN1KMT2AALDH1A1CYP1A2GAA
SCHEMBL28395679 0.81 MEN1 (0.41) MEN1KMT2AALDH1A1CYP1A2GAA
SCHEMBL28394165 0.80 MEN1 (0.40) L3MBTL1MEN1KMT2AALDH1A1CYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111601810-A Inhibitors of indoleamine 2, 3-dioxygenase and/or tryptophan 2, 3-dioxygenase 爱杜西亚药品有限公司 2020-08-28 CN disclosed
CN-110997682-A Inhibitors of indoleamine 2, 3-dioxygenase and/or tryptophan 2, 3-dioxygenase 爱杜西亚药品有限公司 2020-04-10 CN disclosed