SCHEMBL29065875

SCHEMBL29065875

Cc1ccc(NC(c2ccccc2)C2CCCCC2=O)cc1

nearest known ligand 0.82

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.82
MAPT P10636 2/20 0.77
KDM4E B2RXH2 2/20 0.77
HPGD P15428 2/20 0.77
SMN1; SMN2 Q16637 1/20 0.77
LMNA P02545 1/20 0.77
NPSR1 Q6W5P4 1/20 0.77
HTR1E P28566 1/20 0.48
S1PR3 Q99500 1/20 0.48
ALDH1A1 P00352 3/20 0.41
CA2 P00918 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL28015291 0.95 CA1 (0.82) CA1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL16375340 0.90 CA1 (1.00) CA1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL29065873 0.87 MAPT (0.77) CA1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL30530181 0.87 CA1 (0.78) CA1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL30530203 0.87 MAPT (0.69) CA1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL29065896 0.87 MAPT (0.69) CA1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL27929593 0.86 CA1 (0.91) CA1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL29065884 0.86 MAPT (0.67) CA1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL30530130 0.86 MAPT (0.67) CA1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL29065877 0.83 MAPT (0.60) CA1MAPTKDM4EHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116715596-B Method for synthesizing beta-aminoketone compound by synergistic catalysis of cyclopentadienyl titanium/Bronsted acid 宁夏师范学院 2025-01-14 CN disclosed
CN-116715596-A Method for synthesizing beta-aminoketone compound by synergistic catalysis of cyclopentadienyl titanium/Bronsted acid 宁夏师范学院 2023-09-08 CN disclosed