SCHEMBL28265665

SCHEMBL28265665

CCCCN1CCCCCCNNN1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALOX5 P09917 2/20 0.36
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL18203165 0.82
SCHEMBL18203167 0.78
SCHEMBL27293688 0.75 ALOX5 (0.41) MEN1KMT2AALOX5TDP1L3MBTL1
Acetic Acid SCHEMBL1568320 0.75
SCHEMBL3310644 0.74 ALOX5 (0.49) MEN1KMT2AALOX5
SCHEMBL3313745 0.74 ALOX5 (0.49) MEN1KMT2AALOX5
SCHEMBL8751417 0.74 ALOX5 (0.49) MEN1KMT2AALOX5
Hexane SCHEMBL27527606 0.71 TSHR (0.37) MEN1KMT2ATDP1L3MBTL1
SCHEMBL4551459 0.69 ALOX5 (0.47) MEN1KMT2AALOX5TDP1L3MBTL1
Tridecane SCHEMBL27798767 0.69 TSHR (0.42) MEN1KMT2A

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-108976046-A A kind of Chinese prickly ash nutrient solution and the preparation method and application thereof 陕西为康食品科技股份有限公司 2018-12-11 CN disclosed