SCHEMBL366103

SCHEMBL366103

CCOC(=O)c1c2ccc(S(N)(=O)=O)cc2n2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.60
KDM4E B2RXH2 10/20 0.60
KMT2A Q03164 6/20 0.60
MAPT P10636 5/20 0.60
MEN1 O00255 5/20 0.60
SAE1 Q9UBE0 2/20 0.60
UBA2 Q9UBT2 2/20 0.60
APAF1 O14727 1/20 0.60
G6PD P11413 1/20 0.60
PABPC1 P11940 1/20 0.60
CACNA1B Q00975 1/20 0.60
APBA1 Q02410 1/20 0.60
HPGD P15428 4/20 0.50
CYP1A2 P05177 3/20 0.50
IDO1 P14902 2/20 0.50
MAPK1 P28482 2/20 0.50
CYP3A4 P08684 2/20 0.50
LMNA P02545 1/20 0.50
XBP1 P17861 1/20 0.50
MPI P34949 1/20 0.50

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
SCHEMBL365426 0.87 MAPT (0.47) ALDH1A1KDM4EKMT2AMAPTMEN1
SCHEMBL364652 0.83 CA2 (0.40) ALDH1A1KDM4EKMT2AMAPTMEN1
SCHEMBL364760 0.82 KDM4E (0.63) ALDH1A1KDM4EKMT2AMAPTMEN1
SCHEMBL365647 0.82 IDO1 (0.43) ALDH1A1KDM4EKMT2AMAPTMEN1
SCHEMBL366104 0.81 CA9 (0.46) ALDH1A1KDM4EKMT2AMAPTMEN1
SCHEMBL366459 0.81 ALDH1A1 (0.65) ALDH1A1KDM4EKMT2AMAPTMEN1
SCHEMBL364769 0.80 ALDH1A1 (0.61) ALDH1A1KDM4EKMT2AMAPTMEN1
SCHEMBL364968 0.80 KDM4E (0.70) ALDH1A1KDM4EKMT2AMAPTMEN1
SCHEMBL365009 0.78 ALDH1A1 (0.62) ALDH1A1KDM4EKMT2AMAPTMEN1
SCHEMBL366637 0.78 ALDH1A1 (0.67) ALDH1A1KDM4EKMT2AMAPTMEN1

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
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed