SCHEMBL9169044

SCHEMBL9169044

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MAPT P10636 1/20 0.41
GAA P10253 1/20 0.40
IDO1 P14902 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 1/20 0.38
HTR2A P28223 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
RAB9A P51151 1/20 0.38
MAPK1 P28482 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL2945134 0.89 POLB (0.41) ALDH1A1MAPTGAAIDO1POLB
SCHEMBL10681182 0.87 ALDH1A1 (0.40) ALDH1A1MAPTGAAIDO1POLB
SCHEMBL9164239 0.85 ALDH1A1 (0.39) ALDH1A1POLBSMN1; SMN2L3MBTL1RAB9A
SCHEMBL9784708 0.84 HTR2A (0.41) ALDH1A1MAPTGAAPOLBSMN1; SMN2
SCHEMBL5968137 0.81 ALDH1A1 (0.36) ALDH1A1MAPTGAAPOLBSMN1; SMN2
SCHEMBL2940773 0.78 MAOB (0.48) ALDH1A1MAPTIDO1POLBSMN1; SMN2
SCHEMBL11042629 0.78 HTR2A (0.46) ALDH1A1MAPTIDO1POLBSMN1; SMN2
SCHEMBL10690535 0.77 HTT (0.45) ALDH1A1MAPTGAAIDO1POLB
SCHEMBL9169048 0.77 HTR2A (0.43) ALDH1A1MAPTGAAIDO1POLB
SCHEMBL10563443 0.74 ALDH1A1 (0.34) ALDH1A1MAPTGAAPOLBSMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8027168-A None JP disclosed
US-20200339582-A1 Atypical Carbapenem Antibiotics with Improved Activity Against Carbapenemase-Producing Acinetobacter baumannii BUYNAK JOHN (US) 2020-10-29 US disclosed
JP-H0827168-A CARBAPENEM INTERMEDIATE BRISTOL MYERS SQUIBB CO 1996-01-30 JP disclosed
EP-0414904-B1 PREPARATION OF ENOL SILYL ETHER COMPOUNDS KANEGAFUCHI CHEMICAL IND (JP) 1995-03-29 EP disclosed
US-5071966-A PROCESS FOR PREPARING AN ENOL SILYL ETHER COMPOUND KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-12-10 US disclosed
EP-0414904-A1 PREPARATION OF ENOL SILYL ETHER COMPOUNDS KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-03-06 EP disclosed
US-4683296-A ANTIBIOTICS, SILATION BRISTOL-MYERS COMPANY (US) 1987-07-28 US disclosed