SCHEMBL29065868

SCHEMBL29065868

CCc1ccc(NC(c2cccc(Br)c2)C2CCCCC2=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.66
LMNA P02545 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
CA1 P00915 8/20 0.59
KDM4E B2RXH2 1/20 0.57
HPGD P15428 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 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
SCHEMBL30530168 1.00 MAPT (0.66) MAPTLMNANPSR1CA1KDM4E
SCHEMBL30530203 0.89 MAPT (0.69) MAPTLMNANPSR1CA1KDM4E
SCHEMBL29065896 0.89 MAPT (0.69) MAPTLMNANPSR1CA1KDM4E
SCHEMBL30530157 0.88 CA1 (0.58) MAPTLMNANPSR1CA1KDM4E
SCHEMBL30530167 0.88 MAPT (0.65) MAPTLMNANPSR1CA1KDM4E
SCHEMBL29065857 0.88 MAPT (0.65) MAPTLMNANPSR1CA1KDM4E
SCHEMBL29065858 0.87 MAPT (0.74) MAPTLMNANPSR1CA1KDM4E
SCHEMBL30530181 0.87 CA1 (0.78) MAPTLMNANPSR1CA1KDM4E
SCHEMBL29065863 0.87 CA1 (0.78) MAPTLMNANPSR1CA1KDM4E
SCHEMBL30530180 0.87 CA1 (0.78) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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