SCHEMBL4200900

SCHEMBL4200900

COc1cccc(NC(=O)c2cccc3ccccc23)c1C(=O)NCCN1CCOCC1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCL3 P20749 6/20 0.61
ALDH1A1 P00352 3/20 0.58
GAA P10253 1/20 0.58
RXFP1 Q9HBX9 1/20 0.57
DRD3 P35462 1/20 0.54
TSHR P16473 2/20 0.54
POLB P06746 1/20 0.54
HTT P42858 2/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.52

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
SCHEMBL4188676 0.91 DRD3 (0.56) BCL3ALDH1A1GAADRD3POLB
SCHEMBL17554166 0.86 BCL3 (0.73) BCL3ALDH1A1GAAPOLBHTT
SCHEMBL5256886 0.85 TSHR (0.58) ALDH1A1GAATSHRPOLBKDM4E
SCHEMBL29849602 0.83 BCL3 (0.74) BCL3ALDH1A1GAATSHRPOLB
SCHEMBL16430547 0.83 BCL3 (0.74) BCL3ALDH1A1GAATSHRPOLB
SCHEMBL5223641 0.83 PPARG (0.52) ALDH1A1GAADRD3TSHRPOLB
SCHEMBL5795351 0.83 KMT2A (0.63) BCL3ALDH1A1HTTKDM4E
SCHEMBL31518356 0.83 KMT2A (0.63) BCL3ALDH1A1HTTKDM4E
SCHEMBL17554045 0.83 BCL3 (0.70) BCL3ALDH1A1RXFP1DRD3TSHR
SCHEMBL5225535 0.81 TSHR (0.50) ALDH1A1GAATSHRPOLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756044-A1 THERAPEUTIC COMPOUNDS AstraZeneca AB (SE) 2007-02-28 EP claimed
WO-2005115972-A1 THERAPEUTIC COMPOUNDS ASTRAZENECA AB (SE) 2005-12-08 WO claimed
EP-1756044-A1 THERAPEUTIC COMPOUNDS AstraZeneca AB (SE) 2007-02-28 EP disclosed
WO-2005115972-A1 THERAPEUTIC COMPOUNDS ASTRAZENECA AB (SE) 2005-12-08 WO disclosed