SCHEMBL2847409

SCHEMBL2847409

COc1cc2nc(CNCCCNC(=O)[C@@H]3CCCO3)nc(N)c2cc1OC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.69
HPGD P15428 7/20 0.69
ALDH1A1 P00352 6/20 0.69
GLA P06280 6/20 0.69
HSD17B10 Q99714 5/20 0.69
GAA P10253 5/20 0.69
KCNH2 Q12809 3/20 0.69
ADRA2A P08913 3/20 0.69
ADRA2B P18089 3/20 0.69
ADRA2C P18825 3/20 0.69
ADRA1D P25100 3/20 0.69
ADRA1A P35348 3/20 0.69
ADRA1B P35368 3/20 0.69
SLC22A1 O15245 2/20 0.69
ACHE P22303 2/20 0.69
LMNA P02545 2/20 0.69
SLC6A2 P23975 1/20 0.69
DRD3 P35462 1/20 0.69
MAPK1 P28482 2/20 0.51
TP53 P04637 1/20 0.51

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
SCHEMBL707005 1.00 KDM4E (0.69) KDM4EHPGDALDH1A1GLAHSD17B10
Hydrochloric Acid SCHEMBL2851355 0.99 KDM4E (0.68) KDM4EHPGDALDH1A1GLAHSD17B10
Hydrochloric Acid SCHEMBL1690850 0.99 KDM4E (0.68) KDM4EHPGDALDH1A1GLAHSD17B10
SCHEMBL3482463 0.87 KCNH2 (0.56) KDM4EHPGDALDH1A1GLAHSD17B10
SCHEMBL5612677 0.86 KDM4E (0.67) KDM4EHPGDALDH1A1GLAHSD17B10
SCHEMBL3482799 0.86 KCNH2 (0.55) KDM4EHPGDALDH1A1GLAHSD17B10
SCHEMBL26109570 0.85 KDM4E (0.61) KDM4EHPGDALDH1A1GLAHSD17B10
Water SCHEMBL28943973 0.84 KDM4E (0.60) KDM4EHPGDALDH1A1GLAHSD17B10
Sulfuric Acid SCHEMBL26103985 0.82 KDM4E (0.57) KDM4EHPGDALDH1A1GLAHSD17B10
Alfuzosin SCHEMBL34477 0.82 KDM4E (1.00) KDM4EHPGDALDH1A1GLAHSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100183717-A1 CONTROLLED-RELEASE FORMULATIONS MUTUAL PHARMACEUTICAL COMPANY, INC., A PENNSYLVANIA CORPORATION 2010-07-22 US disclosed
US-20100092556-A1 ALFUZOSIN FORMULATIONS, METHODS OF MAKING, AND METHODS OF USE MUTUAL PHARMACEUTICAL COMPANY, INC., A PENNSYLVANIA CORPORATION 2010-04-15 US disclosed
US-20080160081-A1 ALFUZOSIN FORMULATIONS, METHODS OF MAKING, AND METHODS OF USE MUTUAL PHARMACEUTICAL COMPANY, INC. (US) 2008-07-03 US disclosed