SCHEMBL28773274

SCHEMBL28773274

CCCN(CCC)C(=N)N(C)C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
CA1 P00915 2/20 0.42
TSHR P16473 1/20 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 1/20 0.33
HPGD P15428 1/20 0.33
TP53 P04637 1/20 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
SCHEMBL23458211 0.91 CA12 (0.40) CA12CA2CA9CA1TSHR
SCHEMBL23498319 0.90 CA12 (0.39) CA12CA2CA9CA1TSHR
SCHEMBL8020720 0.85 CA12 (0.48) CA12CA2CA9CA1TSHR
SCHEMBL15723555 0.85 CA12 (0.48) CA12CA2CA9CA1TSHR
SCHEMBL23458164 0.84 CA12 (0.43) CA12CA2CA9CA1GRIN2D
SCHEMBL29157979 0.83 CA12 (0.41) CA12CA2CA9CA1TSHR
Phosphine SCHEMBL28540811 0.82 CA12 (0.46) CA12CA2CA9CA1TSHR
SCHEMBL15182726 0.78 CA12 (0.31) CA12CA2CA9CA1
SCHEMBL26967530 0.78 CA12 (0.42) CA12CA2CA9CA1TSHR
SCHEMBL10641643 0.77 EHMT2 (0.35) CA12CA2CA9CA1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4073130-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia S.r.l. (IT) 2022-10-19 EP claimed
CN-114729079-A Catalyst components for the polymerization of olefins 巴塞尔聚烯烃意大利有限公司 2022-07-08 CN claimed
CN-114667303-B Catalyst for olefin polymerization 巴塞尔聚烯烃意大利有限公司 2024-01-26 CN disclosed
EP-4069754-A1 CATALYSTS FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia S.r.l. (IT) 2022-10-12 EP disclosed
CN-114729079-A Catalyst components for the polymerization of olefins 巴塞尔聚烯烃意大利有限公司 2022-07-08 CN disclosed
CN-114667303-A Catalyst for olefin polymerization 巴塞尔聚烯烃意大利有限公司 2022-06-24 CN disclosed