SCHEMBL9724490

SCHEMBL9724490

CC(=NC(=O)OCc1ccc([N+](=O)[O-])cc1)N1C[C@@H](S)C[C@H]1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 1/20 0.39
MAOB P27338 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ATM Q13315 1/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 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
SCHEMBL10362496 0.89 MMP2 (0.47) ALDH1A1MAPTHPGDMAOBTDP1
SCHEMBL10362664 0.89 ALDH1A1 (0.39) ALDH1A1MAPTHPGDMAOBTDP1
SCHEMBL10667279 0.89 ALDH1A1 (0.38) ALDH1A1MAPTHPGDMAOBTDP1
SCHEMBL10362708 0.89 ALDH1A1 (0.38) ALDH1A1MAPTHPGDMAOBTDP1
SCHEMBL8437058 0.87 NPBWR1 (0.38) ALDH1A1MAPTHPGDMAOBTDP1
SCHEMBL8434757 0.85 ALDH1A1 (0.41) ALDH1A1MAPTHPGDMAOBTDP1
SCHEMBL9199587 0.84 RAB9A (0.46) RAB9ANPC1ALDH1A1MAPTHPGD
SCHEMBL9728072 0.84 RAB9A (0.46) RAB9ANPC1ALDH1A1MAPTHPGD
SCHEMBL9208996 0.84 RAB9A (0.46) RAB9ANPC1ALDH1A1MAPTHPGD
SCHEMBL8439607 0.83 SMN1; SMN2 (0.39) ALDH1A1MAPTHPGDLMNA

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
US-5102997-A Antibiotics SANKYO COMPANY LIMITED (JP) 1992-04-07 US disclosed
US-4740507-A Carbapenem compounds and use SANKYO COMPANY LIMITED (JP) 1988-04-26 US disclosed
EP-0186525-A1 Carbapenem compounds, their preparation and use SANKYO COMPANY LIMITED (JP) 1986-07-02 EP disclosed