SCHEMBL6537443

SCHEMBL6537443

Cc1c[nH]c2c([N+](=O)[O-])ccc(C)c2c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 2/20 0.44
DNA2 P51530 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.39
TSHR P16473 7/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 2/20 0.39
RECQL P46063 1/20 0.39
MAPT P10636 3/20 0.37
NPC1 O15118 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
CES1 P23141 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL6538265 0.88 TDP1 (0.41) CASP6DNA2CTDSP1KDM4EHSD17B10
SCHEMBL6537881 0.82 CASP6 (0.45) CASP6DNA2CTDSP1KDM4EHSD17B10
SCHEMBL2031440 0.81 BCHE (0.40) CASP6DNA2CTDSP1KDM4EHSD17B10
SCHEMBL27174893 0.80 HSD17B10 (0.39) CASP6DNA2CTDSP1KDM4EHSD17B10
SCHEMBL6537832 0.80 CASP6 (0.35) CASP6DNA2CTDSP1KDM4EHSD17B10
SCHEMBL6538267 0.78 DNA2 (0.63) CASP6DNA2CTDSP1HSD17B10TSHR
SCHEMBL29956426 0.78 TRIM24 (0.44) CASP6KDM4EHSD17B10TSHRALDH1A1
SCHEMBL2767098 0.78 TRIM24 (0.44) CASP6KDM4EHSD17B10TSHRALDH1A1
SCHEMBL6537685 0.77 KMT2A (0.41) CASP6KDM4EHSD17B10TSHRALDH1A1
SCHEMBL2769856 0.76 CRBN (0.44) CASP6KDM4EHSD17B10TSHRALDH1A1

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