SCHEMBL6537643

SCHEMBL6537643

O=[N+]([O-])c1cccc2c(Cl)c(Br)cnc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.59
KMT2A Q03164 6/20 0.59
ALDH1A1 P00352 5/20 0.59
TDP1 Q9NUW8 5/20 0.59
KDM4E B2RXH2 4/20 0.59
MAPT P10636 6/20 0.51
MAPK1 P28482 2/20 0.51
NOS1 P29475 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
CYP2C19 P33261 1/20 0.51
NOS2 P35228 1/20 0.51
BLM P54132 1/20 0.51
PDE10A Q9Y233 1/20 0.45
HTT P42858 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MITF O75030 1/20 0.45

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
SCHEMBL6537368 0.84 ALDH1A1 (0.67) MEN1KMT2AALDH1A1TDP1KDM4E
SCHEMBL34471923 0.83 ALDH1A1 (0.53) MEN1KMT2AALDH1A1TDP1KDM4E
SCHEMBL6537483 0.81 ALDH1A1 (0.59) MEN1KMT2AALDH1A1TDP1KDM4E
SCHEMBL22118228 0.81 ALDH1A1 (0.48) MEN1KMT2AALDH1A1TDP1KDM4E
SCHEMBL27533903 0.78 ALDH1A1 (0.55) MEN1KMT2AALDH1A1TDP1KDM4E
SCHEMBL22120229 0.78 ALDH1A1 (0.67) MEN1KMT2AALDH1A1TDP1KDM4E
SCHEMBL29800698 0.78 ALDH1A1 (0.67) MEN1KMT2AALDH1A1TDP1KDM4E
SCHEMBL1998621 0.77 ALDH1A1 (0.47) MEN1KMT2AALDH1A1TDP1KDM4E
SCHEMBL6985429 0.77 KMT2A (0.54) MEN1KMT2AALDH1A1TDP1KDM4E
SCHEMBL6537393 0.77 MEN1 (0.54) MEN1KMT2AALDH1A1TDP1KDM4E

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