SCHEMBL4543244

SCHEMBL4543244

C=CC(NC(C=C)c1ccccn1)c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 1/20 0.44
KCNA5 P22460 5/20 0.39
KCNE1 P15382 2/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
KCNH2 Q12809 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.37
KDM4E B2RXH2 2/20 0.36
CYP2D6 P10635 1/20 0.35
CYP1A2 P05177 3/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34

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
SCHEMBL10619146 0.82 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3KCNA5KCNE1
SCHEMBL4084673 0.80 KCNA5 (0.39) SLC6A2SLC6A4SLC6A3KCNA5KCNE1
SCHEMBL4406604 0.80 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3KCNA5KCNE1
SCHEMBL10970051 0.78 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3KCNA5KCNE1
SCHEMBL11800360 0.77 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3KCNA5KCNE1
SCHEMBL6160196 0.77 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3KCNA5KCNE1
SCHEMBL9791901 0.74 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3KCNA5KCNE1
SCHEMBL1385556 0.73 SLC6A3 (0.45) SLC6A2SLC6A4SLC6A3KCNA5KCNE1
SCHEMBL4954290 0.73 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3KCNA5KCNE1
SCHEMBL253431 0.73 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3KCNA5KCNE1

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
US-20090120843-A1 Filtration Apparatus and Method CFD RESEARCH CORPORATION (US) 2009-05-14 US disclosed