SCHEMBL27464347

SCHEMBL27464347

N=C(N)NCCCCCCC(O)(C(N)=O)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 1/20 0.46
ALOX15 P16050 1/20 0.42
ALB P02768 1/20 0.37
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
HIF1A Q16665 1/20 0.34
SPHK1 Q9NYA1 3/20 0.34
ALDH1A1 P00352 3/20 0.33
PAOX Q6QHF9 2/20 0.33
POLB P06746 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
EPHX1 P07099 4/20 0.32
ALDH1A2 O94788 1/20 0.31
ALDH2 P05091 1/20 0.31
ALDH1A3 P47895 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
SCHEMBL1923256 0.77 SMN1; SMN2 (0.67) SMN1; SMN2MEN1KMT2ACYP1A2ALOX15
SCHEMBL10728151 0.77 SMN1; SMN2 (0.67) SMN1; SMN2MEN1KMT2ACYP1A2ALOX15
Synthalin SCHEMBL336302 0.77 SMN1; SMN2 (0.67) SMN1; SMN2MEN1KMT2ACYP1A2ALOX15
SCHEMBL3069140 0.77 SMN1; SMN2 (0.67) SMN1; SMN2MEN1KMT2ACYP1A2ALOX15
SCHEMBL3072659 0.77 SMN1; SMN2 (0.67) SMN1; SMN2MEN1KMT2ACYP1A2ALOX15
SCHEMBL434733 0.77 SMN1; SMN2 (0.67) SMN1; SMN2MEN1KMT2ACYP1A2ALOX15
SCHEMBL11882788 0.77 SMN1; SMN2 (0.67) SMN1; SMN2MEN1KMT2ACYP1A2ALOX15
SCHEMBL7718396 0.76 ALOX15 (0.41) SMN1; SMN2MEN1KMT2ACYP1A2ALOX15
Hydrochloric Acid SCHEMBL21715464 0.75 SMN1; SMN2 (0.64) SMN1; SMN2MEN1KMT2ACYP1A2ALOX15
Hydrochloric Acid SCHEMBL7146690 0.75 SMN1; SMN2 (0.64) SMN1; SMN2MEN1KMT2ACYP1A2ALOX15

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-1119191-A 15-deoxyspergualin analogs, their method of preparation and their use in therapeutics FOURNIER IND & SANTE (FR) 1996-03-27 CN disclosed