SCHEMBL6537658

SCHEMBL6537658

CCOC(=O)COc1ccnc2c([N+](=O)[O-])cccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
KDM4E B2RXH2 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 6/20 0.47
LMNA P02545 4/20 0.47
HPGD P15428 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
MAPK1 P28482 2/20 0.47
TLR9 Q9NR96 2/20 0.47
MITF O75030 2/20 0.47
HSP90AA1 P07900 1/20 0.47
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
S1PR4 O95977 1/20 0.46
ITGA4 P13612 1/20 0.46
S1PR1 P21453 1/20 0.46

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
SCHEMBL6538182 0.82 ALDH1A1 (0.50) ALDH1A1KDM4EMEN1KMT2ATDP1
SCHEMBL2312022 0.81 KMT2A (0.55) ALDH1A1KDM4EMEN1KMT2ATDP1
SCHEMBL6537473 0.81 KDM4E (0.48) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL7996901 0.79 ALDH1A1 (0.56) ALDH1A1KDM4EMEN1KMT2ATDP1
SCHEMBL13099833 0.79 KDM4E (0.65) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL30581469 0.79 KDM4E (0.65) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL216351 0.78 ALDH1A1 (0.55) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL6538048 0.78 ALDH1A1 (0.50) ALDH1A1KDM4EMEN1KMT2ATDP1
SCHEMBL3598134 0.77 ALDH1A1 (0.50) ALDH1A1KDM4EMEN1KMT2ATDP1
SCHEMBL5799758 0.77 ALDH1A1 (0.54) ALDH1A1KDM4EMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0876345-B1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO (JP) 2004-08-18 EP disclosed
US-6008230-A TREATING BONE DISEASES CAUSED BY ABNORMAL BONE METABOLISM IN HUMAN BEING OR ANIMALS AS THE INHIBITORS OF BONE RESORPTION OR THE INHIBITORS OF BONE METASTASIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-12-28 US disclosed
EP-0876345-A1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-11-11 EP disclosed
WO-1997014681-A1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-04-24 WO disclosed