SCHEMBL459078

SCHEMBL459078

N=C(N)NCCC=CCCCNC(=N)N

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.33
HIF1A Q16665 1/20 0.33
EPHX2 P34913 1/20 0.32
SLC6A5 Q9Y345 1/20 0.31

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
SCHEMBL459077 1.00 MEN1 (0.44) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL9125780 0.82 MEN1 (0.44) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL9772165 0.79 ALOX15 (0.40) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL9772166 0.79 ALOX15 (0.40) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL5149959 0.79
SCHEMBL1248639 0.78 SLC6A5 (0.54) MEN1CYP1A2KMT2AEPHX2SLC6A5
SCHEMBL10824725 0.78 SLC6A5 (0.54) MEN1CYP1A2KMT2AEPHX2SLC6A5
SCHEMBL10007258 0.78 SLC6A5 (0.54) MEN1CYP1A2KMT2AEPHX2SLC6A5
SCHEMBL10007259 0.78 SLC6A5 (0.54) MEN1CYP1A2KMT2AEPHX2SLC6A5
SCHEMBL23543287 0.77

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
WO-2012010641-A2 PHARMACEUTICAL COMPOSITION FOR INCREASING CELLULAR HYPOXIC TOLERANCE UNIVERSITE DE NICE SOPHIA ANTIPOLIS (FR) 2012-01-26 WO disclosed