SCHEMBL9574236

SCHEMBL9574236

COc1ccc(CSC2CC(C(=O)N3CC(NC(=O)OCc4ccc([N+](=O)[O-])cc4)C3)N(C(=O)OCc3ccc([N+](=O)[O-])cc3)C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
GAA P10253 1/20 0.40
ALDH1A1 P00352 5/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 3/20 0.37
RAB9A P51151 1/20 0.37
NPFFR1 Q9GZQ6 1/20 0.37
NPFFR2 Q9Y5X5 1/20 0.37
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
HTRA1 Q92743 1/20 0.36
LMNA P02545 1/20 0.36
KCNJ1 P48048 1/20 0.35
KCNH2 Q12809 1/20 0.35
KMT2A Q03164 1/20 0.35
EPHX1 P07099 1/20 0.35

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
SCHEMBL8578872 1.00 SMN1; SMN2 (0.41) SMN1; SMN2PKMHTTGAAALDH1A1
SCHEMBL8435157 0.95 SMN1; SMN2 (0.45) SMN1; SMN2PKMHTTGAAALDH1A1
SCHEMBL8436042 0.95 SMN1; SMN2 (0.45) SMN1; SMN2PKMHTTGAAALDH1A1
SCHEMBL8579491 0.91 GAA (0.42) SMN1; SMN2GAAALDH1A1MAPK1L3MBTL1
SCHEMBL8576659 0.91 GAA (0.43) SMN1; SMN2PKMHTTGAAALDH1A1
SCHEMBL9574300 0.91 GAA (0.43) SMN1; SMN2PKMHTTGAAALDH1A1
SCHEMBL8579494 0.90 ALDH1A1 (0.38) SMN1; SMN2GAAALDH1A1MAPK1L3MBTL1
SCHEMBL8095064 0.90 ALDH1A1 (0.43) SMN1; SMN2GAAALDH1A1MAPK1L3MBTL1
SCHEMBL8095066 0.90 ALDH1A1 (0.43) SMN1; SMN2GAAALDH1A1MAPK1L3MBTL1
SCHEMBL8575147 0.89 GAA (0.41) SMN1; SMN2HTTGAAALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0560613-A1 Antimicrobial carbapenem derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1993-09-15 EP disclosed