SCHEMBL25075482

SCHEMBL25075482

COCCCNCCCNC(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
ADRB2 P07550 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HTR1B P28222 1/20 0.38
NR2E1 Q9Y466 1/20 0.38
ALDH1A1 P00352 3/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.35
SAT1 P21673 1/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.33
GLA P06280 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL8262524 0.91
SCHEMBL104743 0.84 ALDH1A1 (0.38) ADRB2KDM4EHTR1BNR2E1ALDH1A1
SCHEMBL25565749 0.83 CYP2C19 (0.45) CYP2C19CYP1A2ADRB2HTR1BNR2E1
SCHEMBL16692609 0.82 ALDH1A1 (0.37) ADRB2KDM4EHTR1BNR2E1ALDH1A1
SCHEMBL26107079 0.81 CYP2C19 (0.43) CYP2C19CYP1A2ADRB2KDM4EHTR1B
SCHEMBL11044686 0.81 CYP2C19 (0.48) CYP2C19CYP1A2ADRB2HTR1BNR2E1
SCHEMBL12319688 0.81 CYP2C19 (0.48) CYP2C19CYP1A2ADRB2HTR1BNR2E1
SCHEMBL25565762 0.81 ALDH1A1 (0.44) ADRB2HTR1BNR2E1ALDH1A1TSHR
SCHEMBL4159314 0.81 MAPK1 (0.48) MAPK1CYP2C19CYP1A2CYP2D6KDM4E
SCHEMBL25566216 0.79 CYP2C19 (0.41) CYP2C19CYP1A2ADRB2KDM4EHTR1B

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
WO-2023022926-A1 NANOPARTICLE COMPOSITIONS CONTAINING SUGAR FUNCTIONALIZED NUCLEIC ACID CARRIERS TIBA BIOTECH LLC (US) 2023-02-23 WO disclosed