SCHEMBL11319087

SCHEMBL11319087

CCCN(CN(CCC)C(N)=O)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.48
CA2 P00918 4/20 0.48
CA9 Q16790 4/20 0.48
TP53 P04637 1/20 0.45
TSHR P16473 2/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
CA1 P00915 4/20 0.40
CA14 Q9ULX7 1/20 0.39
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MLYCD O95822 1/20 0.37
GRIN2D O15399 3/20 0.36
GRIN3B O60391 3/20 0.36
GRIN1 Q05586 3/20 0.36
GRIN2A Q12879 3/20 0.36
GRIN2B Q13224 3/20 0.36
GRIN2C Q14957 3/20 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
SCHEMBL107452 0.89 CA12 (0.52) CA12CA2CA9TP53TSHR
SCHEMBL42388 0.89 CA12 (0.52) CA12CA2CA9TP53TSHR
Hydrochloric Acid SCHEMBL27324500 0.86 CA12 (0.50) CA12CA2CA9TP53TSHR
SCHEMBL4056597 0.86 CA12 (0.50) CA12CA2CA9TP53TSHR
SCHEMBL4058348 0.86 CA12 (0.50) CA12CA2CA9TP53TSHR
SCHEMBL4050692 0.86 CA12 (0.50) CA12CA2CA9TP53TSHR
SCHEMBL11322379 0.85 CA12 (0.52) CA12CA2CA9TSHRALDH1A1
SCHEMBL291383 0.84
SCHEMBL2829220 0.82
Hydrochloric Acid SCHEMBL27342146 0.82 CA12 (0.46) CA12CA2CA9TP53TSHR

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
US-4306872-A Imidazolidinones in a durable press process AMERICAN CYANAMID COMPANY (US) 1981-12-22 US disclosed