SCHEMBL10728151

SCHEMBL10728151

N=C(N)NCCCCCCCCCCCCNC(=N)N

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.67
MEN1 O00255 1/20 0.67
CYP1A2 P05177 1/20 0.67
KMT2A Q03164 1/20 0.67
ALOX15 P16050 1/20 0.54
HIF1A Q16665 2/20 0.40
ALB P02768 1/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 2/20 0.38
SPHK1 Q9NYA1 3/20 0.37
PAOX Q6QHF9 2/20 0.37
PRSS1 P07477 4/20 0.37
F2 P00734 2/20 0.37
PRSS2 P07478 2/20 0.37
PRSS3 P35030 2/20 0.37
TMPRSS6 Q8IU80 2/20 0.37
ST14 Q9Y5Y6 2/20 0.37
ALDH1A2 O94788 1/20 0.35

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
Synthalin SCHEMBL336302 1.00 SMN1; SMN2 (0.67) SMN1; SMN2MEN1CYP1A2KMT2AALOX15
SCHEMBL434733 1.00 SMN1; SMN2 (0.67) SMN1; SMN2MEN1CYP1A2KMT2AALOX15
SCHEMBL1923256 1.00 SMN1; SMN2 (0.67) SMN1; SMN2MEN1CYP1A2KMT2AALOX15
SCHEMBL11882788 1.00 SMN1; SMN2 (0.67) SMN1; SMN2MEN1CYP1A2KMT2AALOX15
SCHEMBL3072659 1.00 SMN1; SMN2 (0.67) SMN1; SMN2MEN1CYP1A2KMT2AALOX15
SCHEMBL3069140 1.00 SMN1; SMN2 (0.67) SMN1; SMN2MEN1CYP1A2KMT2AALOX15
Hydrochloric Acid SCHEMBL7146690 0.97 SMN1; SMN2 (0.64) SMN1; SMN2MEN1CYP1A2KMT2AALOX15
Hydrochloric Acid SCHEMBL21715464 0.97 SMN1; SMN2 (0.64) SMN1; SMN2MEN1CYP1A2KMT2AALOX15
Hydrochloric Acid SCHEMBL19994028 0.97 SMN1; SMN2 (0.64) SMN1; SMN2MEN1CYP1A2KMT2AALOX15
Synthalin SCHEMBL27953128 0.97 SMN1; SMN2 (0.64) SMN1; SMN2MEN1CYP1A2KMT2AALOX15

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4659739-A LOW PHYTOTOXICITY DAINIPPON INK AND CHEMICALS, INC. (JP) 1987-04-21 US claimed
EP-0155509-A1 Agricultural and horticultural guanidine-type fungicide and process for production thereof DAINIPPON INK AND CHEMICALS, INC. (JP) 1985-09-25 EP claimed
US-4659739-A LOW PHYTOTOXICITY DAINIPPON INK AND CHEMICALS, INC. (JP) 1987-04-21 US disclosed
EP-0155509-A1 Agricultural and horticultural guanidine-type fungicide and process for production thereof DAINIPPON INK AND CHEMICALS, INC. (JP) 1985-09-25 EP disclosed