SCHEMBL8444922

SCHEMBL8444922

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
FAAH O00519 1/20 0.38
ACHE P22303 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
EPHX1 P07099 1/20 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
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL7462093 0.87 DPP8 (0.44) ALDH1A1MAPTGAARAB9AEPHX1
SCHEMBL8449072 0.87 DPP8 (0.44) ALDH1A1MAPTGAARAB9AEPHX1
SCHEMBL8448552 0.87 ALDH1A1 (0.42) ALDH1A1MAPTGAARAB9A
SCHEMBL8444894 0.87 ALDH1A1 (0.42) ALDH1A1MAPTGAARAB9A
SCHEMBL8444897 0.81 MAPT (0.39) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL8448557 0.81 MAPT (0.39) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL8447148 0.81 ALDH1A1 (0.38) ALDH1A1MAPTGAARAB9AKMT2A
Hydrochloric Acid SCHEMBL8447212 0.80 ALDH1A1 (0.38) ALDH1A1MAPTGAARAB9AKMT2A
SCHEMBL8447185 0.79 MAPT (0.38) ALDH1A1MAPTRAB9AKDM4EMEN1
SCHEMBL8447184 0.79 MAPT (0.38) ALDH1A1MAPTRAB9AKDM4EMEN1

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