SCHEMBL9008073

SCHEMBL9008073

O=Cc1cc[c]c([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH5A1 P51649 1/20 0.44
ABAT P80404 1/20 0.44
VCAM1 P19320 1/20 0.44
ALDH1A1 P00352 9/20 0.38
MAPT P10636 6/20 0.38
ALDH3A1 P30838 2/20 0.38
ALDH1A3 P47895 1/20 0.38
XDH P47989 1/20 0.37
LMNA P02545 3/20 0.34
TTR P02766 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ERN1 O75460 1/20 0.33
KDM4E B2RXH2 1/20 0.32
PTGS2 P35354 1/20 0.32
RAB9A P51151 1/20 0.32
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL26325 0.74 TSHR (0.48) ALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL4837606 0.73 HSP90AA1 (0.30)
SCHEMBL6257261 0.72 SNCA (0.33) LMNAMEN1KMT2AHTT
Water SCHEMBL28995322 0.72 TSHR (0.46) ALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL6904635 0.72 ALDH1A1 (0.44) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL590426 0.72 TDP1 (0.44) VCAM1ALDH1A1MAPTLMNAMEN1
SCHEMBL387257 0.72 ALDH1A1 (0.44) VCAM1ALDH1A1MAPTLMNAMEN1
SCHEMBL2131010 0.72 S100A4 (0.34) ALDH1A1LMNAMEN1KMT2AERN1
SCHEMBL441113 0.72 TSHR (0.45) ALDH1A1MAPTLMNA
SCHEMBL3044183 0.72 ALDH1A1 (0.44) ALDH1A1MAPTLMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0511917-B1 Glycosylated prodrugs, process for their preparation and uses thereof HOECHST SA LAB (FR) 1996-10-23 EP claimed
WO-1992019639-A1 GLYCOSYLATED PRODRUGS, METHOD OF PREPARATION AND USE LABORATOIRES HOECHST (FR) 1992-11-12 WO claimed
EP-0511917-A1 Glycosylated prodrugs, process for their preparation and uses thereof LABORATOIRES HOECHST S.A. (FR) 1992-11-04 EP claimed
EP-0511917-B1 Glycosylated prodrugs, process for their preparation and uses thereof HOECHST SA LAB (FR) 1996-10-23 EP disclosed
WO-1992019639-A1 GLYCOSYLATED PRODRUGS, METHOD OF PREPARATION AND USE LABORATOIRES HOECHST (FR) 1992-11-12 WO disclosed
EP-0511917-A1 Glycosylated prodrugs, process for their preparation and uses thereof LABORATOIRES HOECHST S.A. (FR) 1992-11-04 EP disclosed