SCHEMBL6537463

SCHEMBL6537463

CCOC(=O)Cc1ncnc2c([N+](=O)[O-])cccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 3/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 3/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
CTSB P07858 2/20 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
SCHEMBL6538182 0.81 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL6536546 0.80 CHEK1 (0.52) ALDH1A1SMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL6537475 0.79 MEN1 (0.48) ALDH1A1MAPK1MEN1KMT2AMAPT
SCHEMBL6537478 0.79 MAPK1 (0.40) ALDH1A1SMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL6537316 0.79 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL5787352 0.77 MAPT (0.52) ALDH1A1SMN1; SMN2MAPK1MAPTKDM4E
SCHEMBL30132805 0.77 MAPT (0.52) ALDH1A1SMN1; SMN2MAPK1MAPTKDM4E
Butane SCHEMBL7723409 0.76 MAPT (0.51) ALDH1A1SMN1; SMN2MAPK1MAPTKDM4E
SCHEMBL15169965 0.76 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL6537658 0.75 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPK1MEN1KMT2A

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