SCHEMBL8444897

SCHEMBL8444897

CC(=NC(=O)OCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCNC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 2/20 0.39
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAOB P27338 1/20 0.37
POLB P06746 1/20 0.37
HTR2A P28223 1/20 0.36

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
SCHEMBL8448557 1.00 MAPT (0.39) MAPTALDH1A1HTTGAASMN1; SMN2
SCHEMBL8447148 0.88 ALDH1A1 (0.38) MAPTALDH1A1GAASMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL8447212 0.87 ALDH1A1 (0.38) MAPTALDH1A1GAASMN1; SMN2KMT2A
SCHEMBL8447184 0.87 MAPT (0.38) MAPTALDH1A1HTTSMN1; SMN2KMT2A
SCHEMBL8447185 0.87 MAPT (0.38) MAPTALDH1A1HTTSMN1; SMN2KMT2A
SCHEMBL8449072 0.84 DPP8 (0.44) MAPTALDH1A1GAASMN1; SMN2KMT2A
SCHEMBL7462093 0.84 DPP8 (0.44) MAPTALDH1A1GAASMN1; SMN2KMT2A
SCHEMBL8444922 0.81 ALDH1A1 (0.39) MAPTALDH1A1GAASMN1; SMN2KMT2A
SCHEMBL8444894 0.80 ALDH1A1 (0.42) MAPTALDH1A1GAAL3MBTL1
SCHEMBL8448552 0.80 ALDH1A1 (0.42) MAPTALDH1A1GAAL3MBTL1

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
US-5977097-A 1-methylcarbapenem derivatives SANKYO COMPANY LIMITED (JP) 1999-11-02 US disclosed
EP-0900797-A1 1-METHYLCARBAPENEM DERIVATIVES SANKYO COMPANY LIMITED (JP) 1999-03-10 EP disclosed