SCHEMBL4374675

SCHEMBL4374675

CCC(C(=O)OC1CC(=O)NC1=O)[n+]1c2ccccc2c(C(=O)Oc2c([N+](=O)[O-])cccc2[N+](=O)[O-])c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 3/20 0.33
CACNA1F O60840 2/20 0.33
CACNA1D Q01668 2/20 0.33
CACNA1S Q13698 2/20 0.33
ALDH1A1 P00352 3/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
ALOX12 P18054 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.30
KDM4E B2RXH2 2/20 0.30
MEN1 O00255 1/20 0.30
THRB P10828 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL617412 0.69 RAB9A (0.42) ALDH1A1LMNAMEN1KMT2A
SCHEMBL11232423 0.65 ALDH1A1 (0.41) ALDH1A1L3MBTL1KDM4EMEN1KMT2A
Trifluoromethanesulfonic Acid SCHEMBL12096565 0.64 BRD4 (0.31)
SCHEMBL7379863 0.63 MEN1 (0.44) ALDH1A1LMNAL3MBTL1KDM4EMEN1
SCHEMBL7381326 0.63 MEN1 (0.44) ALDH1A1LMNAL3MBTL1KDM4EMEN1
SCHEMBL4624539 0.62 KDM4E (0.31) ALDH1A1MAPTKDM4E
SCHEMBL5735277 0.61
SCHEMBL4374679 0.61 CA12 (0.31)
SCHEMBL7385158 0.60 HSD17B10 (0.43) ALDH1A1MAPTLMNAL3MBTL1KDM4E
SCHEMBL10352631 0.60 ALDH1A1 (0.46) ALDH1A1L3MBTL1MEN1KMT2A

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
EP-1658503-B1 CHEMILUMINESCENT COMPOUNDS MOLECULAR LIGHT TECH RES LTD (GB) 2009-11-18 EP claimed