SCHEMBL23458337

SCHEMBL23458337

CCCN(CC)C(=N)N(CC)CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.42
CA9 Q16790 7/20 0.42
CA2 P00918 6/20 0.42
CA1 P00915 6/20 0.42
TSHR P16473 2/20 0.36
MAPK1 P28482 1/20 0.36
GRIN2D O15399 4/20 0.33
GRIN3B O60391 4/20 0.33
GRIN1 Q05586 4/20 0.33
GRIN2A Q12879 4/20 0.33
GRIN2B Q13224 4/20 0.33
GRIN2C Q14957 4/20 0.33
GRIN3A Q8TCU5 4/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
TP53 P04637 2/20 0.32
EHMT2 Q96KQ7 3/20 0.32
EHMT1 Q9H9B1 3/20 0.32
ABCB11 O95342 2/20 0.32
HTT P42858 2/20 0.32

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
SCHEMBL26967530 0.94 CA12 (0.42) CA12CA9CA2CA1TSHR
SCHEMBL23458094 0.85 CA12 (0.47) CA12CA9CA2CA1TSHR
SCHEMBL15723555 0.85 CA12 (0.48) CA12CA9CA2CA1TSHR
SCHEMBL8020720 0.85 CA12 (0.48) CA12CA9CA2CA1TSHR
SCHEMBL164890 0.85 EHMT2 (0.40) CA12CA9CA2CA1TSHR
SCHEMBL8013735 0.85 EHMT2 (0.40) CA12CA9CA2CA1TSHR
SCHEMBL23498319 0.84 CA12 (0.39) CA12CA9CA2CA1TSHR
SCHEMBL23458132 0.84 CA12 (0.50) CA12CA9CA2CA1TSHR
Phosphine SCHEMBL28540811 0.82 CA12 (0.46) CA12CA9CA2CA1TSHR
SCHEMBL10639843 0.82 CA12 (0.37) CA12CA9CA2CA1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4073130-B1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA SRL (IT) 2023-12-27 EP claimed
EP-4073130-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia S.r.l. (IT) 2022-10-19 EP claimed
EP-4073130-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia S.r.l. (IT) 2022-10-19 EP disclosed
EP-4069754-A1 CATALYSTS FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia S.r.l. (IT) 2022-10-12 EP disclosed
WO-2021110563-A1 CATALYSTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2021-06-10 WO disclosed