SCHEMBL5224653

SCHEMBL5224653

COC(=O)c1cc(N2CCCS2(=O)=O)c(C)c([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
POLB P06746 1/20 0.42
VCAM1 P19320 1/20 0.42
HPGD P15428 2/20 0.42
MAPT P10636 8/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 2/20 0.41
WDR5 P61964 2/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2D6 P10635 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
OPRK1 P41145 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL5220082 0.97 MEN1 (0.43) MEN1KMT2APOLBVCAM1HPGD
SCHEMBL5224649 0.89 MEN1 (0.42) MEN1KMT2APOLBVCAM1HPGD
SCHEMBL5217410 0.88 MEN1 (0.43) MEN1KMT2APOLBVCAM1HPGD
SCHEMBL5220094 0.85 MAPT (0.42) MEN1KMT2APOLBVCAM1HPGD
SCHEMBL5223581 0.84 KMT2A (0.43) MEN1KMT2APOLBVCAM1HPGD
SCHEMBL5219375 0.81 KDM4E (0.48) KMT2AHPGDMAPTGAAKDM4E
SCHEMBL5222480 0.78 CTSD (0.44) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL5219776 0.78 KDM4E (0.50) KMT2APOLBHPGDMAPTGAA
SCHEMBL5226061 0.77 MEN1 (0.48) MEN1KMT2APOLBVCAM1HPGD
SCHEMBL6186406 0.77 SMN1; SMN2 (0.45) MEN1KMT2APOLBMAPTGAA

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