SCHEMBL6537676

SCHEMBL6537676

CCOC(=O)C(C(=O)OCC)c1c(Br)cnc2c([N+](=O)[O-])cccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 5/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPK1 P28482 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
NOS1 P29475 1/20 0.40
CYP2C19 P33261 1/20 0.40
NOS2 P35228 1/20 0.40
BLM P54132 1/20 0.40
CTSB P07858 2/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 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
SCHEMBL6537584 0.87 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL6537478 0.81 MAPK1 (0.40) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL6538048 0.80 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL6537316 0.80 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL952570 0.78 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL34471923 0.77 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL20657212 0.75 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL28768690 0.74 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL6537824 0.73 KMT2A (0.53) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL4785490 0.73 KMT2A (0.64) ALDH1A1MEN1KMT2AL3MBTL1MAPT

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