SCHEMBL28200071

SCHEMBL28200071

CC(N)N1CCNCC1.NCCNCCN

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.39
CA12 O43570 3/20 0.37
CA6 P23280 3/20 0.37
CA7 P43166 3/20 0.37
CA9 Q16790 3/20 0.37
CA14 Q9ULX7 3/20 0.37
CA5B Q9Y2D0 3/20 0.37
MEN1 O00255 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
CA2 P00918 2/20 0.36
CA3 P07451 2/20 0.36
CA4 P22748 2/20 0.36
CA5A P35218 2/20 0.36
CA1 P00915 1/20 0.36
ALOX15 P16050 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL9093614 0.85 DNM1 (0.32) CA12CA6CA7CA9CA14
SCHEMBL17209 0.82
SCHEMBL28155645 0.82 MEN1 (0.37) MEN1KMT2ASIGMAR1CHRM5CHRM3
SCHEMBL7784004 0.82
SCHEMBL11547492 0.81 CA12 (0.37) ACE2CA12CA6CA7CA9
SCHEMBL2480876 0.81 CA12 (0.37) ACE2CA12CA6CA7CA9
Hydrochloric Acid SCHEMBL8977384 0.80 MEN1 (0.35) MEN1KMT2ALMNAALDH1A1SIGMAR1
Bromide SCHEMBL7773475 0.80 MEN1 (0.35) MEN1KMT2ASIGMAR1CHRM5CHRM3
SCHEMBL28706469 0.80 MEN1 (0.35) MEN1KMT2ASIGMAR1CHRM5CHRM3
Ammonia Solution, Strong SCHEMBL9231328 0.80 MEN1 (0.35) MEN1KMT2ASIGMAR1CHRM5CHRM3

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-107709619-A Thin corrosion protection coatings containing polyamidoamine polymers 汉高股份有限及两合公司 2018-02-16 CN disclosed