SCHEMBL6537671

SCHEMBL6537671

O=C(Nc1cccc2c(-n3ccnc3)ccnc12)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
GAA P10253 2/20 0.47
HTT P42858 2/20 0.47
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HPGD P15428 1/20 0.44
POLB P06746 1/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
ABCG2 Q9UNQ0 2/20 0.42
KCNMA1 Q12791 1/20 0.42
MITF O75030 1/20 0.42

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
SCHEMBL6538176 0.84 KDM4E (0.48) SMN1; SMN2GAAHTTNCOA1NCOA3
SCHEMBL6537662 0.79 MEN1 (0.61) SMN1; SMN2GAAHTTNCOA1NCOA3
Hydrochloric Acid SCHEMBL6537552 0.79 KDM4E (0.43) SMN1; SMN2GAAHTTNCOA1NCOA3
SCHEMBL6537644 0.79 CYP1A2 (0.51) SMN1; SMN2GAAHTTNCOA1NCOA3
SCHEMBL6537546 0.78 KMT2A (0.48) SMN1; SMN2GAAHTTNCOA1NCOA3
SCHEMBL6537488 0.78 CYP3A4 (0.48) SMN1; SMN2HTTCYP1A2CYP3A4CYP2D6
SCHEMBL6537479 0.75 ALDH1A1 (0.49) SMN1; SMN2GAAHTTNCOA1NCOA3
SCHEMBL6537717 0.75 MEN1 (0.45) SMN1; SMN2GAAHTTNCOA1NCOA3
SCHEMBL11995707 0.74 MAPT (0.67) SMN1; SMN2GAAHTTNCOA1NCOA3
SCHEMBL30733199 0.74 MAPT (0.67) SMN1; SMN2GAAHTTNCOA1NCOA3

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