SCHEMBL28499415

SCHEMBL28499415

CCCCC(C)C(=N)C(C)=N

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FDPS P14324 5/20 0.43
CA1 P00915 3/20 0.40
ALDH1A1 P00352 1/20 0.34
DNM1 Q05193 2/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
ACE2 Q9BYF1 1/20 0.32
CA2 P00918 2/20 0.32
MAPK1 P28482 1/20 0.32
OPRM1 P35372 1/20 0.32
SPHK1 Q9NYA1 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
SCHEMBL31322932 0.93 CA1 (0.48) FDPSCA1ACE2OPRM1SPHK1
SCHEMBL30450220 0.85 FDPS (0.39) FDPS
Hydrochloric Acid SCHEMBL31076153 0.83 FDPS (0.37) FDPS
SCHEMBL28520590 0.80
SCHEMBL101976 0.74
SCHEMBL24933465 0.73 CA1 (0.52) FDPSCA1ACE2OPRM1SPHK1
SCHEMBL20143627 0.73 CA1 (0.52) FDPSCA1ACE2OPRM1SPHK1
SCHEMBL27370621 0.73 CA1 (0.41) FDPSCA1ALDH1A1DNM1ACE2
SCHEMBL23197652 0.73
SCHEMBL8296936 0.73

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-111579777-A Affinity medium with large-particle-size gel as carrier and application thereof 江苏省苏微微生物研究有限公司 2020-08-25 CN disclosed