SCHEMBL6537469

SCHEMBL6537469

CCOC(=O)Cc1ccnc2c(N)cccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.52
PKM P14618 1/20 0.45
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 4/20 0.41
HSD17B10 Q99714 3/20 0.41
TP53 P04637 2/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 1/20 0.41
TBXAS1 P24557 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
DPP4 P27487 2/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
MPI P34949 1/20 0.39
KMT2A Q03164 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL6537473 0.81 KDM4E (0.48) CHEK1PKMALDH1A1KDM4EHSD17B10
SCHEMBL6538182 0.80 ALDH1A1 (0.50) PKMALDH1A1KDM4EHSD17B10HTT
SCHEMBL7567056 0.80 MAPT (0.46) ALDH1A1KDM4EHSD17B10TP53HPGD
SCHEMBL6174947 0.79 PKM (0.54) PKMALDH1A1KDM4EHSD17B10HPGD
SCHEMBL6536546 0.79 CHEK1 (0.52) CHEK1PKMALDH1A1HSD17B10HPGD
SCHEMBL4949470 0.77 KDM4E (0.62) ALDH1A1KDM4ETP53HTTSMN1; SMN2
SCHEMBL6538425 0.76 CHEK1 (0.49) CHEK1PKMALDH1A1KDM4EHSD17B10
SCHEMBL6538281 0.76 CHEK1 (0.49) CHEK1PKMALDH1A1KDM4EHSD17B10
SCHEMBL6537664 0.76 POLB (0.45) ALDH1A1HTTSMN1; SMN2MAPTLMNA
SCHEMBL6537784 0.75 KDM4E (0.66) ALDH1A1KDM4EHSD17B10TP53HPGD

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