SCHEMBL6537685

SCHEMBL6537685

Cc1ccc([N+](=O)[O-])c2[nH]ccc(=O)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
NPC1 O15118 2/20 0.41
MEN1 O00255 2/20 0.41
RAB9A P51151 1/20 0.41
CASP6 P55212 1/20 0.41
HSD17B10 Q99714 1/20 0.39
TSHR P16473 5/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 2/20 0.39
KDM4E B2RXH2 2/20 0.39
RECQL P46063 1/20 0.39
MAPT P10636 3/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CCR8 P51685 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

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
SCHEMBL6537728 0.83 CYP1A2 (0.42) KMT2ANPC1MEN1RAB9AHSD17B10
SCHEMBL6537811 0.82 TDP1 (0.44) KMT2ANPC1MEN1RAB9ACASP6
SCHEMBL6537669 0.81 LMNA (0.51) KMT2ANPC1MEN1RAB9ACASP6
SCHEMBL8119259 0.80 KDM4E (0.52) KMT2ANPC1MEN1RAB9AHSD17B10
SCHEMBL8103665 0.80 CYP1A2 (0.42) KMT2ANPC1MEN1RAB9AHSD17B10
SCHEMBL2768608 0.79 ALDH1A1 (0.44) KMT2ANPC1MEN1CASP6HSD17B10
SCHEMBL29764388 0.79 ALDH1A1 (0.44) KMT2ANPC1MEN1CASP6HSD17B10
SCHEMBL6537443 0.77 CASP6 (0.44) KMT2ANPC1MEN1CASP6HSD17B10
SCHEMBL3928266 0.76 ALDH1A1 (0.47) KMT2ANPC1MEN1HSD17B10TSHR
SCHEMBL20877299 0.75 BCHE (0.43) KMT2ANPC1MEN1RAB9ACASP6

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