SCHEMBL8447148

SCHEMBL8447148

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
IDO1 P14902 2/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 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
Hydrochloric Acid SCHEMBL8447212 0.99 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2RAB9APOLBL3MBTL1
SCHEMBL8444897 0.88 MAPT (0.39) ALDH1A1SMN1; SMN2POLBL3MBTL1MAPT
SCHEMBL8448557 0.88 MAPT (0.39) ALDH1A1SMN1; SMN2POLBL3MBTL1MAPT
SCHEMBL8447185 0.87 MAPT (0.38) ALDH1A1SMN1; SMN2RAB9APOLBL3MBTL1
SCHEMBL8447184 0.87 MAPT (0.38) ALDH1A1SMN1; SMN2RAB9APOLBL3MBTL1
SCHEMBL8449072 0.84 DPP8 (0.44) ALDH1A1SMN1; SMN2RAB9AMAPTGAA
SCHEMBL7462093 0.84 DPP8 (0.44) ALDH1A1SMN1; SMN2RAB9AMAPTGAA
SCHEMBL8447186 0.82 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2RAB9APOLBL3MBTL1
SCHEMBL8444922 0.81 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2RAB9AMAPTGAA
SCHEMBL8444894 0.80 ALDH1A1 (0.42) ALDH1A1RAB9AL3MBTL1MAPTGAA

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