SCHEMBL14527675

SCHEMBL14527675

CCN1C(=O)c2cccc3c(S(=O)(=O)O)ccc1c23

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 15/20 0.71
ALDH1A1 P00352 4/20 0.67
PKM P14618 2/20 0.67
MAPT P10636 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
L3MBTL1 Q9Y468 2/20 0.64
ATM Q13315 1/20 0.64
KDM4E B2RXH2 3/20 0.64
APAF1 O14727 1/20 0.63
GAA P10253 1/20 0.63
THRB P10828 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
HPGD P15428 1/20 0.63

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
SCHEMBL9006326 0.89 CYP1B1 (0.61) BRD4ALDH1A1PKMMAPTSMN1; SMN2
SCHEMBL9450615 0.88 BRD4 (0.73) BRD4ALDH1A1PKMMAPTSMN1; SMN2
SCHEMBL29437342 0.86 BRD4 (0.71) BRD4ALDH1A1PKMMAPTSMN1; SMN2
SCHEMBL29437286 0.86 BRD4 (0.75) BRD4ALDH1A1PKMMAPTSMN1; SMN2
SCHEMBL16862798 0.86 BRD4 (0.75) BRD4ALDH1A1PKMMAPTSMN1; SMN2
SCHEMBL14527657 0.85 BRD4 (0.53) BRD4ALDH1A1PKMMAPTSMN1; SMN2
SCHEMBL29437320 0.84 BRD4 (0.80) BRD4ALDH1A1PKMMAPTSMN1; SMN2
SCHEMBL17992491 0.84 BRD4 (0.80) BRD4ALDH1A1PKMMAPTSMN1; SMN2
SCHEMBL25520372 0.84 BRD4 (0.73) BRD4ALDH1A1PKMMAPTSMN1; SMN2
SCHEMBL17992497 0.83 BRD4 (1.00) BRD4ALDH1A1PKMMAPTSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111995563-A Inhibitors of phosphodiesterase PDE2 activity 常州大学 2020-11-27 CN claimed
CN-111995563-A Inhibitors of phosphodiesterase PDE2 activity 常州大学 2020-11-27 CN disclosed
EP-1093015-B1 IR-photographic sensitizing dyes AGFA GRAPHICS NV (BE) 2007-05-23 EP disclosed