SCHEMBL29065873

SCHEMBL29065873

Cc1ccc(NC(c2ccc(Br)cc2)C2CCCCC2=O)cc1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.77
LMNA P02545 1/20 0.77
NPSR1 Q6W5P4 1/20 0.77
CA1 P00915 8/20 0.62
SMN1; SMN2 Q16637 2/20 0.59
KDM4E B2RXH2 1/20 0.59
HPGD P15428 1/20 0.59
POLB P06746 2/20 0.36
HTR1E P28566 1/20 0.36
S1PR3 Q99500 1/20 0.36
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL29065858 0.88 MAPT (0.74) MAPTLMNANPSR1CA1SMN1; SMN2
SCHEMBL29065872 0.87 MAPT (0.90) MAPTLMNANPSR1CA1SMN1; SMN2
SCHEMBL29065875 0.87 CA1 (0.82) MAPTLMNANPSR1CA1SMN1; SMN2
SCHEMBL28015291 0.87 CA1 (0.82) MAPTLMNANPSR1CA1SMN1; SMN2
SCHEMBL29065896 0.87 MAPT (0.69) MAPTLMNANPSR1CA1SMN1; SMN2
SCHEMBL30530203 0.87 MAPT (0.69) MAPTLMNANPSR1CA1SMN1; SMN2
SCHEMBL29065876 0.81 LMNA (0.52) MAPTLMNANPSR1CA1SMN1; SMN2
SCHEMBL29065877 0.81 MAPT (0.60) MAPTLMNANPSR1CA1SMN1; SMN2
SCHEMBL30530130 0.79 MAPT (0.67) MAPTLMNANPSR1CA1SMN1; SMN2
SCHEMBL29065884 0.79 MAPT (0.67) MAPTLMNANPSR1CA1SMN1; 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