SCHEMBL5367994

SCHEMBL5367994

O=C(NCc1ccncc1)c1ccc2c(ccn2N2CCC(Cc3ccccc3)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ROCK1 Q13464 2/20 0.49
SLC6A2 P23975 3/20 0.48
SLC6A4 P31645 3/20 0.48
MCHR1 Q99705 1/20 0.47
LMNA P02545 3/20 0.47
HDAC6 Q9UBN7 1/20 0.47
PARP1 P09874 1/20 0.46
ALDH1A1 P00352 1/20 0.46
F2 P00734 1/20 0.45
MMP13 P45452 2/20 0.45
ROCK2 O75116 1/20 0.45
RPS6KA5 O75582 1/20 0.45
MAP4K4 O95819 1/20 0.45
PRKCG P05129 1/20 0.45
PRKACA P17612 1/20 0.45
RPS6KB1 P23443 1/20 0.45
MAPK1 P28482 1/20 0.45
AKT1 P31749 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
SCHEMBL5365744 0.84 SLC6A2 (0.47) MEN1KMT2ASLC6A2SLC6A4MCHR1
SCHEMBL5369707 0.80 HDAC6 (0.48) MEN1KMT2ASLC6A2SLC6A4LMNA
SCHEMBL5203573 0.80 F2 (0.57) MEN1KMT2ASLC6A2SLC6A4HDAC6
SCHEMBL5378543 0.78 BCHE (0.48) SLC6A2SLC6A4HDAC6F2
SCHEMBL5378029 0.78 SLC6A2 (0.47) MEN1KMT2ASLC6A2SLC6A4HDAC6
SCHEMBL5378747 0.78 SLC6A2 (0.51) MEN1KMT2ASLC6A2SLC6A4MCHR1
SCHEMBL5367998 0.78 MEN1 (0.52) MEN1KMT2AROCK1SLC6A2SLC6A4
SCHEMBL1061695 0.74 MGLL (0.59) MEN1KMT2AMCHR1ALDH1A1F2
SCHEMBL1056538 0.73 F2 (0.58) MEN1KMT2AMCHR1ALDH1A1F2
SCHEMBL5733657 0.72 GAA (0.55) MEN1KMT2ASLC6A2SLC6A4PARP1

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
US-7189739-B2 Compounds and methods to treat cardiac failure and other disorders SCIOS, INC. (US) 2007-03-13 US claimed
EP-1080078-B1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC (US) 2006-02-01 EP claimed
EP-1080078-A1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC. (US) 2001-03-07 EP claimed
WO-1999061426-A1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC. (US) 1999-12-02 WO claimed