SCHEMBL29065872

SCHEMBL29065872

O=C1CCCCC1C(Nc1ccccc1)c1ccc(Br)cc1

nearest known ligand 0.90

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.90
LMNA P02545 1/20 0.90
NPSR1 Q6W5P4 1/20 0.90
CA1 P00915 10/20 0.82
KDM4E B2RXH2 2/20 0.69
HPGD P15428 2/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
CA2 P00918 1/20 0.43
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL16375340 0.90 CA1 (1.00) MAPTLMNANPSR1CA1KDM4E
SCHEMBL29065863 0.87 CA1 (0.78) MAPTLMNANPSR1CA1KDM4E
SCHEMBL29065873 0.87 MAPT (0.77) MAPTLMNANPSR1CA1KDM4E
SCHEMBL30530180 0.87 CA1 (0.78) MAPTLMNANPSR1CA1KDM4E
SCHEMBL28015291 0.87 CA1 (0.82) MAPTLMNANPSR1CA1KDM4E
SCHEMBL28015297 0.87 MAPT (0.90) MAPTLMNANPSR1CA1KDM4E
SCHEMBL28317423 0.87 CA1 (0.82) MAPTLMNANPSR1CA1KDM4E
SCHEMBL27929593 0.86 CA1 (0.91) MAPTLMNANPSR1CA1KDM4E
SCHEMBL29065858 0.85 MAPT (0.74) MAPTLMNANPSR1CA1KDM4E
SCHEMBL28318413 0.84 CA1 (0.76) MAPTLMNANPSR1CA1KDM4E

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