SCHEMBL366074

SCHEMBL366074

COc1cc(OS(=O)(=O)C2CC2)cc2c1c(C(N)=O)c1ccccn12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
MAPT P10636 4/20 0.33
TP53 P04637 1/20 0.33
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
NPC1 O15118 2/20 0.32
GAA P10253 1/20 0.32
ATM Q13315 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
LMNA P02545 1/20 0.32
APAF1 O14727 1/20 0.32
G6PD P11413 1/20 0.32
PABPC1 P11940 1/20 0.32

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
SCHEMBL365225 0.91 CA12 (0.35) POLBMAPTTP53MEN1KMT2A
SCHEMBL367759 0.87 STS (0.41) MKNK2MAPTMEN1KMT2ANPC1
SCHEMBL367244 0.87 KDM4E (0.33) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL366019 0.79 STS (0.41) MAPTMEN1KMT2ANPC1GAA
SCHEMBL367236 0.77 TSHR (0.47) POLBTP53MEN1KMT2ANPC1
SCHEMBL367389 0.77 IDO1 (0.36) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL365489 0.77 KMT2A (0.36) MKNK2MEN1KMT2AALDH1A1RAB9A
SCHEMBL365191 0.77 MKNK2 (0.40) MKNK2MAPTMEN1KMT2ANPC1
SCHEMBL367765 0.77 NPC1 (0.43) MKNK2MAPTNPC1GAAATM
SCHEMBL366075 0.76 MAPT (0.35) POLBMAPTTP53MEN1KMT2A

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-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed