SCHEMBL6537575

SCHEMBL6537575

O=[N+]([O-])c1cccc2c(CO)ccnc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.63
TDP1 Q9NUW8 8/20 0.63
ALDH1A1 P00352 7/20 0.63
MEN1 O00255 7/20 0.63
KMT2A Q03164 7/20 0.63
MAPT P10636 11/20 0.57
LMNA P02545 5/20 0.57
ALOX12 P18054 2/20 0.57
TP53 P04637 1/20 0.57
TSHR P16473 1/20 0.57
HTT P42858 5/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
MITF O75030 1/20 0.55
PDE10A Q9Y233 1/20 0.53
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CASP1 P29466 1/20 0.52
CYP2C19 P33261 1/20 0.52
HIF1A Q16665 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL7571608 0.88 ALDH1A1 (0.63) KDM4ETDP1ALDH1A1MEN1KMT2A
SCHEMBL11972876 0.85 KDM4E (0.57) KDM4ETDP1ALDH1A1MEN1KMT2A
SCHEMBL26964175 0.84 ALDH1A1 (0.58) KDM4ETDP1ALDH1A1MEN1KMT2A
SCHEMBL6538214 0.81 MAPT (0.77) KDM4ETDP1ALDH1A1MEN1KMT2A
SCHEMBL6538182 0.79 ALDH1A1 (0.50) KDM4ETDP1ALDH1A1MEN1KMT2A
SCHEMBL27190058 0.78 MAPT (0.76) KDM4ETDP1ALDH1A1MEN1KMT2A
SCHEMBL4642926 0.78 MEN1 (0.67) KDM4ETDP1ALDH1A1MEN1KMT2A
SCHEMBL29800698 0.78 ALDH1A1 (0.67) KDM4ETDP1ALDH1A1MEN1KMT2A
SCHEMBL22120229 0.78 ALDH1A1 (0.67) KDM4ETDP1ALDH1A1MEN1KMT2A
SCHEMBL31067265 0.78 ALDH1A1 (0.67) KDM4ETDP1ALDH1A1MEN1KMT2A

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