SCHEMBL6537869

SCHEMBL6537869

COCc1cnc2c(NC(=O)c3ccccc3[N+](=O)[O-])cccc2c1Oc1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 2/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ABCG2 Q9UNQ0 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.40
NCOA1 Q15788 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL6537358 0.82 KDM4E (0.50) KMT2AALDH1A1KDM4EMEN1MAPK1
Hydrochloric Acid SCHEMBL6537552 0.78 KDM4E (0.43) HTTKMT2AALDH1A1KDM4EMEN1
SCHEMBL6538278 0.77 KMT2A (0.45) HTTKMT2AALDH1A1KDM4EMEN1
SCHEMBL6538307 0.77 MEN1 (0.48) KMT2AALDH1A1KDM4EMEN1MAPK1
SCHEMBL6538243 0.74 KMT2A (0.43) KMT2AALDH1A1KDM4EMEN1MAPK1
SCHEMBL6537621 0.72 SCN5A (0.42) HTTALDH1A1KDM4EHPGDGAA
SCHEMBL6538347 0.70 LMNA (0.40) HTTKMT2AALDH1A1KDM4EMEN1
SCHEMBL6537586 0.70 KDM4E (0.53) KMT2AALDH1A1KDM4EMEN1CYP1A2
SCHEMBL6537479 0.69 ALDH1A1 (0.49) HTTKMT2AALDH1A1KDM4EMEN1
SCHEMBL6537662 0.69 MEN1 (0.61) HTTKMT2AALDH1A1KDM4EMEN1

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