SCHEMBL6537951

SCHEMBL6537951

COc1ccc([N+](=O)[O-])c2nccc(Cl)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.51
MEN1 O00255 7/20 0.51
ALDH1A1 P00352 6/20 0.51
TDP1 Q9NUW8 4/20 0.51
KDM4E B2RXH2 4/20 0.51
LMNA P02545 6/20 0.44
GAA P10253 2/20 0.42
PIN1 Q13526 1/20 0.41
MAPT P10636 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
PKM P14618 2/20 0.41
HTT P42858 2/20 0.41
HSP90AA1 P07900 1/20 0.41
OPRK1 P41145 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CTSB P07858 1/20 0.39
JMJD7 P0C870 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
SCHEMBL25247464 0.89 KMT2A (0.49) KMT2AMEN1ALDH1A1TDP1KDM4E
SCHEMBL6537935 0.83 KMT2A (0.61) KMT2AMEN1ALDH1A1TDP1KDM4E
SCHEMBL6537530 0.81 MEN1 (0.55) KMT2AMEN1ALDH1A1TDP1KDM4E
SCHEMBL7188128 0.80 ALDH1A1 (0.42) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL7185154 0.79 KMT2A (0.54) KMT2AMEN1ALDH1A1TDP1KDM4E
SCHEMBL24715898 0.79 KDM4E (0.62) KMT2AMEN1ALDH1A1TDP1KDM4E
SCHEMBL22501504 0.75 KMT2A (0.60) KMT2AMEN1ALDH1A1TDP1KDM4E
SCHEMBL25246326 0.74 LMNA (0.51) KMT2AMEN1ALDH1A1TDP1KDM4E
SCHEMBL25291696 0.74 KMT2A (0.49) KMT2AMEN1ALDH1A1TDP1KDM4E
SCHEMBL6537949 0.74 G6PD (0.44) KMT2AMEN1ALDH1A1TDP1GAA

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