SCHEMBL4068255

SCHEMBL4068255

N=C(N)NC(=O)c1cn(-c2cccc3ncccc23)c2ncccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 3/20 0.41
PDE4A P27815 2/20 0.40
PABPC1 P11940 2/20 0.40
EIF4H Q15056 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SLC9A2 Q9UBY0 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NSD2 O96028 1/20 0.39
ALDH1A1 P00352 2/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
ELANE P08246 1/20 0.38
KCNH2 Q12809 1/20 0.38
MALT1 Q9UDY8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL4060771 0.94 PDE4A (0.40) SLC9A1PDE4APABPC1EIF4HMEN1
SCHEMBL4068932 0.90 PDE4A (0.39) SLC9A1PDE4APABPC1EIF4HMEN1
SCHEMBL4063790 0.87 HTR3A (0.40) PDE4AELANEKCNH2L3MBTL1
SCHEMBL4067514 0.87 PDE4A (0.37) PDE4AELANEKCNH2L3MBTL1MAPT
SCHEMBL4064713 0.86 HTR3A (0.40) PDE4AELANEKCNH2L3MBTL1
SCHEMBL4060477 0.86 ELANE (0.41) PDE4AELANEKCNH2MALT1
SCHEMBL4069712 0.85 KDM4E (0.46) PDE4AMEN1KMT2AALDH1A1KCNH2
SCHEMBL4063095 0.85 PDE4A (0.39) PDE4AELANEKCNH2RORC
SCHEMBL4061518 0.84 PDE4A (0.41) PDE4AELANEKCNH2RORC
SCHEMBL4060222 0.84 PDE4A (0.39) PDE4AELANEKCNH2L3MBTL1RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1641791-B1 3-(GUANIDINOCARBONYL)HETEROCYCLE DERIVATIVES, PREPARATION PROCESS AND INTERMEDIATES OF THIS PROCESS, THEIR USE AS MEDICAMENTS, AND PHARMACEUTICAL COMPOSITIONS INCLUDING THEM SANOFI AVENTIS DEUTSCHLAND (DE) 2009-07-29 EP claimed