SCHEMBL8449072

SCHEMBL8449072

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 1/20 0.40
EPHX1 P07099 2/20 0.40
GAA P10253 1/20 0.40
TGM2 P21980 1/20 0.40
TPSAB1 Q15661 1/20 0.40
TPSD1 Q9BZJ3 1/20 0.40
TPSG1 Q9NRR2 1/20 0.40

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 1.00 DPP8 (0.44) DPP8DPP9MAPTKDM4EMEN1
SCHEMBL8444922 0.87 ALDH1A1 (0.39) MAPTKDM4EMEN1TP53CYP3A4
SCHEMBL8447185 0.87 MAPT (0.38) DPP8DPP9MAPTKDM4EMEN1
SCHEMBL8447184 0.87 MAPT (0.38) DPP8DPP9MAPTKDM4EMEN1
SCHEMBL8448552 0.86 ALDH1A1 (0.42) MAPTALDH1A1RAB9AGAA
SCHEMBL8444894 0.86 ALDH1A1 (0.42) MAPTALDH1A1RAB9AGAA
SCHEMBL8448557 0.84 MAPT (0.39) MAPTKDM4EMEN1TP53CYP3A4
SCHEMBL8444897 0.84 MAPT (0.39) MAPTKDM4EMEN1TP53CYP3A4
SCHEMBL8447148 0.84 ALDH1A1 (0.38) DPP8DPP9MAPTKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL8447212 0.84 ALDH1A1 (0.38) DPP8DPP9MAPTKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1093861-C 1-methylcarbapenem derivatives SANKYO CO (JP) 2002-11-06 CN disclosed
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