SCHEMBL29065858

SCHEMBL29065858

CCc1ccc(NC(c2ccc(Br)cc2)C2CCCCC2=O)cc1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.74
LMNA P02545 1/20 0.74
NPSR1 Q6W5P4 1/20 0.74
CA1 P00915 9/20 0.60
HPGD P15428 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
KDM4E B2RXH2 1/20 0.57
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
ALDH1A1 P00352 1/20 0.37
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
POLB P06746 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
KMT2A Q03164 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
SCHEMBL29065873 0.88 MAPT (0.77) MAPTLMNANPSR1CA1HPGD
SCHEMBL30530181 0.88 CA1 (0.78) MAPTLMNANPSR1CA1HPGD
SCHEMBL30530168 0.87 MAPT (0.66) MAPTLMNANPSR1CA1HPGD
SCHEMBL29065868 0.87 MAPT (0.66) MAPTLMNANPSR1CA1HPGD
SCHEMBL29065872 0.85 MAPT (0.90) MAPTLMNANPSR1CA1HPGD
SCHEMBL30530127 0.84 CA1 (0.57) MAPTLMNANPSR1CA1HPGD
SCHEMBL29065885 0.81 MAPT (0.58) MAPTLMNANPSR1CA1HPGD
SCHEMBL30530157 0.80 CA1 (0.58) MAPTLMNANPSR1CA1HPGD
SCHEMBL29065857 0.80 MAPT (0.65) MAPTLMNANPSR1CA1HPGD
SCHEMBL30530167 0.80 MAPT (0.65) MAPTLMNANPSR1CA1HPGD

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