SCHEMBL9281133

SCHEMBL9281133

C[SiH](C)O/C=C(\C(=[N+]=[N-])C(=O)OCc1ccc([N+](=O)[O-])cc1)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.38
HTR2A P28223 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
MAOB P27338 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
IDO1 P14902 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
SCHEMBL9169055 1.00 ALDH1A1 (0.41) ALDH1A1MAPTHTTHTR2AL3MBTL1
SCHEMBL9784715 0.83 HTR2A (0.41) ALDH1A1MAPTHTTHTR2AL3MBTL1
SCHEMBL10785083 0.82 ALDH1A1 (0.39) ALDH1A1MAPTHTTHTR2AL3MBTL1
SCHEMBL10690535 0.80 HTT (0.45) ALDH1A1MAPTHTTHTR2AL3MBTL1
SCHEMBL2940773 0.78 MAOB (0.48) ALDH1A1MAPTHTTHTR2AL3MBTL1
SCHEMBL11042629 0.76 HTR2A (0.46) ALDH1A1MAPTHTTHTR2AL3MBTL1
SCHEMBL9284975 0.74 ALDH1A1 (0.42) ALDH1A1MAPTHTTHTR2AL3MBTL1
SCHEMBL10681182 0.74 ALDH1A1 (0.40) ALDH1A1MAPTHTTHTR2AL3MBTL1
SCHEMBL9169044 0.73 ALDH1A1 (0.41) ALDH1A1MAPTHTTHTR2AL3MBTL1
SCHEMBL2945134 0.72 POLB (0.41) ALDH1A1MAPTHTTHTR2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8027168-A None JP disclosed
JP-H0827168-A CARBAPENEM INTERMEDIATE BRISTOL MYERS SQUIBB CO 1996-01-30 JP disclosed