SCHEMBL7457441

SCHEMBL7457441

COc1ccc(CS[C@H]2C[C@@H](C(=O)N3CC[C@H](NC(=O)CCNC(=N)NC(=O)OCc4ccc([N+](=O)[O-])cc4)C3)N(C(=O)OCc3ccc([N+](=O)[O-])cc3)C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
GAA P10253 1/20 0.35
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
GRIN2B Q13224 1/20 0.33
MAPT P10636 3/20 0.33
RAB9A P51151 1/20 0.32
NPFFR1 Q9GZQ6 1/20 0.32
NPFFR2 Q9Y5X5 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL8436042 0.89 SMN1; SMN2 (0.45) ALDH1A1MAPK1L3MBTL1SMN1; SMN2PKM
SCHEMBL8435157 0.89 SMN1; SMN2 (0.45) ALDH1A1MAPK1L3MBTL1SMN1; SMN2PKM
SCHEMBL7458363 0.88 ALDH1A1 (0.36) ALDH1A1MAPK1L3MBTL1SMN1; SMN2PKM
SCHEMBL7458358 0.88 ALDH1A1 (0.36) ALDH1A1MAPK1L3MBTL1SMN1; SMN2PKM
SCHEMBL7452652 0.87 ALDH1A1 (0.35) ALDH1A1MAPK1L3MBTL1SMN1; SMN2PKM
SCHEMBL7452655 0.87 ALDH1A1 (0.35) ALDH1A1MAPK1L3MBTL1SMN1; SMN2PKM
SCHEMBL7454149 0.87 DPP8 (0.37) ALDH1A1DPP8DPP9MEN1KMT2A
SCHEMBL7458366 0.87 ALDH1A1 (0.36) ALDH1A1MAPK1L3MBTL1SMN1; SMN2PKM
SCHEMBL7458362 0.87 ALDH1A1 (0.36) ALDH1A1MAPK1L3MBTL1SMN1; SMN2PKM
SCHEMBL7463311 0.86 ALDH1A1 (0.38) ALDH1A1MAPK1L3MBTL1SMN1; SMN2PKM

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
EP-0882728-B1 1-METHYLCARBAPENEM DERIVATIVES SANKYO CO (JP) 2002-09-04 EP disclosed
US-6090802-A BACTERICIDE SANKYO COMPANY, LIMITED (JP) 2000-07-18 US disclosed
EP-0882728-A1 1-METHYLCARBAPENEM DERIVATIVES SANKYO COMPANY LIMITED (JP) 1998-12-09 EP disclosed