SCHEMBL27453091

SCHEMBL27453091

CC(C)(C)OC(=O)c1cccc(NC(N)=O)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
F2 P00734 5/20 0.50
RAB9A P51151 4/20 0.50
TMPRSS6 Q8IU80 2/20 0.50
STAT3 P40763 1/20 0.50
SLC7A5 Q01650 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NPC1 O15118 3/20 0.48
PARP14 Q460N5 1/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.47
ABCB1 P08183 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL13659673 0.85 NPSR1 (0.69) ALDH1A1RAB9ASTAT3NPSR1NPC1
SCHEMBL2025451 0.84 SLC7A5 (0.51) ALDH1A1F2RAB9ATMPRSS6STAT3
SCHEMBL308570 0.84 ALDH1A1 (0.77) ALDH1A1RAB9ANPSR1NPC1MAPT
SCHEMBL13662571 0.82 L3MBTL1 (0.61) ALDH1A1F2RAB9ATMPRSS6NPC1
SCHEMBL6081117 0.81 TGM2 (0.52) ALDH1A1RAB9ASTAT3NPSR1NPC1
SCHEMBL7934460 0.81 F2 (0.50) ALDH1A1F2RAB9ATMPRSS6SLC7A5
SCHEMBL8341341 0.81 SLC7A5 (0.51) ALDH1A1F2RAB9ATMPRSS6STAT3
SCHEMBL13605105 0.80 KCNK9 (0.70) ALDH1A1RAB9ASTAT3NPC1MAPT
SCHEMBL6081279 0.80 SMN1; SMN2 (0.58) ALDH1A1F2RAB9ATMPRSS6NPC1
SCHEMBL110296 0.80 SLC7A5 (0.58) ALDH1A1STAT3SLC7A5ABCB1ABCG2

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-1130351-C 1,5-benzodiazepine derivatives ZERIA PHARM CO LTD (JP) 2003-12-10 CN disclosed
CN-1246850-A 1,5-benzodiazepine derivatives ZERIA PHARM CO LTD (JP) 2000-03-08 CN disclosed