SCHEMBL5223575

SCHEMBL5223575

COC(=O)c1cc(N2CCCCS2(O)O)c(OC)c([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.43
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
MAPT P10636 4/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
OPRK1 P41145 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
WDR5 P61964 1/20 0.38
VCAM1 P19320 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL5223581 0.89 KMT2A (0.43) TPMTKMT2AMEN1MAPTALDH1A1
SCHEMBL5220094 0.88 MAPT (0.42) KMT2AMEN1MAPTALDH1A1CYP1A2
SCHEMBL5217410 0.86 MEN1 (0.43) TPMTKMT2AMEN1MAPTALDH1A1
SCHEMBL5224649 0.84 MEN1 (0.42) KMT2AMEN1MAPTALDH1A1CYP1A2
SCHEMBL5221149 0.82 KDM4E (0.46) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL5220767 0.80 ALDH1A1 (0.42) KMT2AMEN1MAPTALDH1A1OPRK1
SCHEMBL5220495 0.78 KDM4E (0.44) KMT2AMEN1MAPTALDH1A1TDP1
SCHEMBL5217576 0.78 KDM4E (0.33) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL5218055 0.78 CTSD (0.44) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL5217580 0.78 KDM4E (0.33) KMT2AMEN1ALDH1A1KDM4EHPGD

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
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed