SCHEMBL27388024

SCHEMBL27388024

N=C(N)NC(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.51
RAB9A P51151 2/20 0.51
DPP8 Q6V1X1 1/20 0.48
DPP9 Q86TI2 1/20 0.48
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
RECQL P46063 1/20 0.47
KMT2A Q03164 1/20 0.47
CACNA1C Q13936 1/20 0.47
AKR1C3 P42330 1/20 0.47
NPC1 O15118 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
SCHEMBL8439536 0.86 HTT (0.50) IDO1RAB9AALDH1A1MAPTMAPK1
SCHEMBL2299040 0.83 IDO1 (0.58) IDO1RAB9AALDH1A1MAPTMAPK1
SCHEMBL11069589 0.83 IDO1 (0.51) IDO1RAB9ADPP8DPP9ALDH1A1
SCHEMBL5595658 0.82 ALDH1A1 (0.49) RAB9ADPP8DPP9ALDH1A1MAPT
SCHEMBL11165857 0.82 IDO1 (0.53) IDO1RAB9AALDH1A1MAPTMAPK1
SCHEMBL6046636 0.82 RAB9A (0.59) IDO1RAB9ADPP8DPP9ALDH1A1
SCHEMBL10500161 0.82 DPP8 (0.58) IDO1RAB9ADPP8DPP9ALDH1A1
Hydrochloric Acid SCHEMBL5595266 0.81 ALDH1A1 (0.48) IDO1DPP8DPP9ALDH1A1MAPT
SCHEMBL8436151 0.81 RAB9A (0.49) IDO1RAB9AALDH1A1MAPTAKR1C3
Hydrochloric Acid SCHEMBL11574226 0.81 IDO1 (0.58) IDO1RAB9ADPP8DPP9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1247581-C Method for producing carbapenem-type antibacterial agent SANKYO CO (JP) 2006-03-29 CN disclosed
CN-1486316-A Processes for the preparation of carbapenem-type antibacterial agents ������������ʽ���� 2004-03-31 CN disclosed
CN-1095843-C 1-methylcarbapenem derivatives SANKYO CO (JP) 2002-12-11 CN disclosed
CN-1209130-A 1-methylcarbapenem derivatives SANKYO CO (JP) 1999-02-24 CN disclosed