SCHEMBL28984366

SCHEMBL28984366

CC(C)NCCCN1CCN(CCCN(C(C)C)C(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
BACE1 P56817 1/20 0.33
MALT1 Q9UDY8 1/20 0.33
USP2 O75604 1/20 0.32
MBTD1 Q05BQ5 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CARM1 Q86X55 1/20 0.31
PRMT6 Q96LA8 1/20 0.31
PRMT8 Q9NR22 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
SCHEMBL26267230 0.85 MEN1 (0.39) TP53SMN1; SMN2MEN1KMT2A
SCHEMBL28984365 0.85 SMN1; SMN2 (0.48) TP53SMN1; SMN2LMNAUSP2CARM1
SCHEMBL13397474 0.81 HRH3 (0.46) SMN1; SMN2MEN1KMT2ACARM1PRMT6
SCHEMBL13397349 0.81 HRH3 (0.41) MEN1KMT2A
SCHEMBL13397392 0.80 PAOX (0.40) TP53SMN1; SMN2MEN1KMT2AUSP2
SCHEMBL10289067 0.80 TP53 (0.44) TP53SMN1; SMN2KMT2ALMNAUSP2
SCHEMBL13397351 0.80 HRH3 (0.50) SMN1; SMN2MEN1KMT2A
SCHEMBL18286784 0.79 SMN1; SMN2 (0.43) TP53SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL8258583 0.79 CARM1 (0.48) TP53SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL24111211 0.78 CARM1 (0.48) TP53SMN1; SMN2LMNAUSP2CARM1

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-115805003-A Novel amine compound, acid gas absorbent, method for removing acid gas, and acid gas removal device 株式会社东芝 2023-03-17 CN disclosed