SCHEMBL8570379

SCHEMBL8570379

O=C1OC(COS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CN1c1cccc(F)c1N1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
MAOB P27338 6/20 0.39
MAOA P21397 2/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
GRM2 Q14416 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
PKM P14618 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC6A9 P48067 1/20 0.35
NOD2 Q9HC29 1/20 0.35
NOD1 Q9Y239 1/20 0.35
LMNA P02545 1/20 0.35
PTGS1 P23219 1/20 0.35
CALML3 P27482 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
SCHEMBL8571527 0.93 PRMT5 (0.53) ALDH1A1MAPTPRMT5WDR77MAOB
SCHEMBL8575373 0.90 ALDH1A1 (0.46) ALDH1A1MAPTPRMT5WDR77MAOB
SCHEMBL8572411 0.89 MAOB (0.42) ALDH1A1MAPTMAOBMAOACYP2C9
SCHEMBL16393547 0.89 MAOB (0.42) ALDH1A1MAPTMAOBMAOACYP2D6
SCHEMBL8571525 0.89 GRM2 (0.40) ALDH1A1MAOBMAOAGRM2POLB
SCHEMBL14696869 0.84 MAOB (0.47) ALDH1A1MAOBMAOAGRM2LMNA
SCHEMBL13263370 0.83 MAOB (0.59) ALDH1A1MAPTMAOBMAOASLC6A9
SCHEMBL8570451 0.81 MAOB (0.39) MAOBMAOAGRM2KMT2ALMNA
SCHEMBL2401271 0.77 F10 (0.51) ALDH1A1MAOBMAOAGRM2LMNA
SCHEMBL2401267 0.77 F10 (0.51) ALDH1A1MAOBMAOAGRM2LMNA

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
US-5837870-A Process to prepare oxazolidinones PHARMACIA & UPJOHN COMPANY (US) 1998-11-17 US claimed