SCHEMBL6537832

SCHEMBL6537832

COCc1c[nH]c2c([N+](=O)[O-])ccc(C)c2c1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 2/20 0.35
DNA2 P51530 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
KDM4E B2RXH2 1/20 0.34
NQO2 P16083 2/20 0.34
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34
MAPT P10636 4/20 0.33
ALDH1A1 P00352 3/20 0.33
CYP3A4 P08684 2/20 0.32
TSHR P16473 2/20 0.32
RECQL P46063 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
GAA P10253 1/20 0.32
LMNA P02545 3/20 0.32
NPC1 O15118 1/20 0.31
MAPK1 P28482 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 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
SCHEMBL6537881 0.84 CASP6 (0.45) CASP6DNA2CTDSP1KDM4ENQO2
SCHEMBL6537443 0.80 CASP6 (0.44) CASP6DNA2CTDSP1KDM4EMAPT
SCHEMBL6537611 0.79 DNA2 (0.55) CASP6DNA2CTDSP1KDM4ENQO2
SCHEMBL25001471 0.77 HTR2A (0.46) CASP6MAPTALDH1A1CYP3A4TSHR
SCHEMBL6537491 0.75 GRIN2D (0.45) CASP6DNA2CTDSP1KDM4ENQO2
SCHEMBL18509141 0.74 FBP1 (0.51) TSHRFBP1
SCHEMBL27174893 0.71 HSD17B10 (0.39) CASP6DNA2CTDSP1KDM4EMAPT
SCHEMBL25001887 0.71 MTNR1A (0.56) KDM4ENQO2MTNR1AMTNR1BMAPT
SCHEMBL25001117 0.70 HTR2A (0.51) NQO2MTNR1AMTNR1BMAPTALDH1A1
SCHEMBL6538265 0.70 TDP1 (0.41) CASP6DNA2CTDSP1KDM4EMAPT

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