SCHEMBL28306346

SCHEMBL28306346

CP(=O)(O)ON1CCNCC1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
CHKA P35790 1/20 0.30
ANPEP P15144 1/20 0.30
ERAP2 Q6P179 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL29160731 0.82 CA2 (0.33) CA2CA12CA1CA9CHKA
SCHEMBL227948 0.82 CA2 (0.33) CA2CA12CA1CA9CHKA
SCHEMBL28305000 0.82
Water SCHEMBL11853077 0.80 CA2 (0.32) CA2CA12CA1CA9CHKA
SCHEMBL195407 0.78 ANPEP (0.33) CA2CA12CA1CA9CHKA
Hydrochloric Acid SCHEMBL27950022 0.78 CA2 (0.31) CA2CA12CA1CA9CHKA
SCHEMBL11128978 0.77 CA2 (0.31) CA2CA12CA1CA9CHKA
SCHEMBL28819425 0.75 CA2 (0.32) CA2CHKA
SCHEMBL29088717 0.75 FDPS (0.35)
SCHEMBL225178 0.75 FDPS (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109942824-A A kind of nitrogenous phosphonate fire retardant and its synthetic method 黑龙江科技大学 2019-06-28 CN disclosed
CN-109942824-A A kind of nitrogenous phosphonate fire retardant and its synthetic method 黑龙江科技大学 2019-06-28 CN disclosed