SCHEMBL6687570

SCHEMBL6687570

O=[N+]([O-])c1ccc(N2CCCC2)cc1.O=[N+]([O-])c1ccc(N2CCCCC2)c(F)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.69
ALDH1A1 P00352 12/20 0.64
KMT2A Q03164 4/20 0.64
GAA P10253 2/20 0.61
LMNA P02545 5/20 0.59
POLB P06746 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.56
SLC6A9 P48067 1/20 0.54
SLC6A5 Q9Y345 1/20 0.54
MEN1 O00255 3/20 0.53
CYP1A2 P05177 3/20 0.53
CYP2C19 P33261 3/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C9 P11712 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HPGD P15428 1/20 0.53
THRB P10828 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
MITF O75030 1/20 0.51
HSP90AA1 P07900 1/20 0.51

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
SCHEMBL85672 0.93 ALDH1A1 (0.73) MAPTALDH1A1KMT2AGAALMNA
SCHEMBL30928952 0.93 ALDH1A1 (0.73) MAPTALDH1A1KMT2AGAALMNA
SCHEMBL1127011 0.93 ALDH1A1 (0.73) MAPTALDH1A1KMT2AGAALMNA
SCHEMBL4921368 0.91 ALDH1A1 (0.75) MAPTALDH1A1KMT2AGAALMNA
SCHEMBL5697459 0.89 ALDH1A1 (0.68) MAPTALDH1A1KMT2AGAALMNA
SCHEMBL14464189 0.85 ALDH1A1 (0.79) MAPTALDH1A1KMT2AGAALMNA
SCHEMBL15927818 0.85 ALDH1A1 (0.64) MAPTALDH1A1KMT2AGAALMNA
SCHEMBL1804893 0.84 ALDH1A1 (0.66) MAPTALDH1A1KMT2AGAALMNA
SCHEMBL223626 0.83 MAPT (1.00) MAPTALDH1A1GAALMNAPOLB
SCHEMBL85552 0.83 MAPT (1.00) MAPTALDH1A1GAALMNAPOLB

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
EP-1411932-A1 SUBSTITUTED OXAZOLIDINONES FOR COMBINATIONAL THERAPY Bayer HealthCare AG (DE) 2004-04-28 EP disclosed
WO-2003000256-A9 SUBSTITUTED OXAZOLIDINONES FOR COMBINATIONAL THERAPY BAYER AG (DE) 2003-02-06 WO disclosed
WO-2003000256-A1 SUBSTITUTED OXAZOLIDINONES FOR COMBINATIONAL THERAPY BAYER HEALTHCARE AG (DE) 2003-01-03 WO disclosed