SCHEMBL434308

SCHEMBL434308

CC(N)CCCCCCNC(=N)N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TP53 P04637 1/20 0.42
OPRM1 P35372 1/20 0.41
ALOX15 P16050 1/20 0.41
GNAI3 P08754 1/20 0.37
GNAO1 P09471 1/20 0.37
GNAI1 P63096 1/20 0.37
TRPV1 Q8NER1 1/20 0.35
TRPA1 O75762 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
RRM1 P23921 1/20 0.35
DPP7 Q9UHL4 1/20 0.34
NPY4R P50391 3/20 0.33
NPY1R P25929 2/20 0.33
NPY2R P49146 2/20 0.33
NPY5R Q15761 2/20 0.33

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
SCHEMBL17525175 0.98 MEN1 (0.46) MEN1CYP1A2KMT2ASMN1; SMN2TP53
SCHEMBL11418945 0.98 MEN1 (0.46) MEN1CYP1A2KMT2ASMN1; SMN2TP53
SCHEMBL463757 0.92 MEN1 (0.42) MEN1CYP1A2KMT2ASMN1; SMN2TP53
SCHEMBL13865707 0.92 MEN1 (0.42) MEN1CYP1A2KMT2ASMN1; SMN2TP53
SCHEMBL20969045 0.92 MEN1 (0.42) MEN1CYP1A2KMT2ASMN1; SMN2TP53
SCHEMBL18601807 0.86 MEN1 (0.50) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL22277155 0.86 MEN1 (0.50) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL5089242 0.86 MEN1 (0.50) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
Hydrochloric Acid SCHEMBL6241672 0.84 MEN1 (0.48) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL19145361 0.83 MEN1 (0.47) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15

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