SCHEMBL5699565

SCHEMBL5699565

CCCS(=O)(=O)c1cccc2c1C(C)(C)C(C)=N2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
ADRA2C P18825 2/20 0.34
ADRA1D P25100 2/20 0.34
ADRA1A P35348 2/20 0.34
ADRA1B P35368 2/20 0.34
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
LMNA P02545 2/20 0.30
APEX1 P27695 1/20 0.30
S1PR4 O95977 1/20 0.30
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
S1PR1 P21453 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
SCHEMBL101050 0.78 MEN1 (0.49) KMT2AMEN1KDM4EAPEX1
SCHEMBL4017031 0.78 MEN1 (0.45) KMT2AMEN1ALDH1A1HSD17B10
SCHEMBL4014873 0.77 MEN1 (0.47) KMT2AMEN1KDM4EAPEX1
Potassium Ion SCHEMBL4014871 0.77 MEN1 (0.44) KMT2AMEN1
SCHEMBL28179880 0.73 MEN1 (0.49) KMT2AMEN1
SCHEMBL31461336 0.68 MEN1 (0.55) KMT2AMEN1ALDH1A1MAPT
SCHEMBL1049879 0.68 MEN1 (0.55) KMT2AMEN1ALDH1A1MAPT
SCHEMBL14566372 0.68 MEN1 (0.55) KMT2AMEN1ALDH1A1HSD17B10ALOX15
SCHEMBL28229028 0.67 MEN1 (0.43) KMT2AMEN1
Iodide SCHEMBL27547267 0.67 MEN1 (0.43) KMT2AMEN1ALDH1A1KDM4E

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
EP-1668091-A1 FLUORESCENT COMPOUND COVENTRY UNIVERSITY (GB) 2006-06-14 EP disclosed
WO-2005033245-A1 FLUORESCENT COMPOUND COVENTRY UNIVERSITY (GB) 2005-04-14 WO disclosed