SCHEMBL6537475

SCHEMBL6537475

CCOC(=O)Cc1c(Cl)cnc2c([N+](=O)[O-])cccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 5/20 0.41
MAPT P10636 5/20 0.41
THRB P10828 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPK1 P28482 2/20 0.40
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GLA P06280 1/20 0.38
POLB P06746 1/20 0.38
RECQL P46063 1/20 0.38
CTSB P07858 1/20 0.38

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
SCHEMBL6537478 0.86 MAPK1 (0.40) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL6538281 0.82 CHEK1 (0.49) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL6537584 0.80 ALDH1A1 (0.48) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL6537463 0.79 ALDH1A1 (0.43) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL6538182 0.79 ALDH1A1 (0.50) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL7524992 0.79 MAPK1 (0.47) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL6537864 0.77 POLB (0.45) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL4785490 0.77 KMT2A (0.64) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL7816604 0.75 GPR35 (0.43) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL6537658 0.74 ALDH1A1 (0.49) MEN1KMT2AALDH1A1KDM4ETDP1

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