SCHEMBL433663

SCHEMBL433663

CC(CCCCCCNC(=N)N)NC(=N)N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALOX15 P16050 1/20 0.40
EPHX1 P07099 1/20 0.34
ITGB3 P05106 3/20 0.33
ITGA2B P08514 3/20 0.33
NPY4R P50391 5/20 0.33
NPY1R P25929 4/20 0.33
NPY2R P49146 3/20 0.33
NPY5R Q15761 3/20 0.33
SIRT6 Q8N6T7 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
ALB P02768 1/20 0.32
SPHK1 Q9NYA1 3/20 0.32
KDM4E B2RXH2 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
SCHEMBL26218456 0.87 MEN1 (0.46) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL26727470 0.84 MEN1 (0.38) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL22277155 0.84 MEN1 (0.50) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL5089242 0.84 MEN1 (0.50) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL18601807 0.84 MEN1 (0.50) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL12674196 0.82
Hydrochloric Acid SCHEMBL6241672 0.82 MEN1 (0.48) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL434308 0.82 MEN1 (0.48) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL19145361 0.82 MEN1 (0.47) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL435524 0.80 MEN1 (0.43) 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 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