SCHEMBL28055642

SCHEMBL28055642

N=C(N)NCCCN[C]=O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.43
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 1/20 0.32
HIF1A Q16665 1/20 0.32
ALB P02768 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
SCHEMBL3455317 0.81 MEN1 (0.56) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
Bicarbonate SCHEMBL9192764 0.77 ALOX15 (0.48) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL1775038 0.76
Arcaine SCHEMBL303546 0.75 MEN1 (0.62) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL2905696 0.74 ALOX15 (0.47) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL5497332 0.74 MEN1 (0.50) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL11882788 0.73 SMN1; SMN2 (0.67) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL3069140 0.73 SMN1; SMN2 (0.67) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL10728151 0.73 SMN1; SMN2 (0.67) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
Arcaine SCHEMBL11414566 0.73 MEN1 (0.60) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2

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
CN-105308021-A Process for preparing guanidino-functional monomers 3M INNOVATIVE PROPERTIES CO 2016-02-03 CN disclosed