SCHEMBL8222273

SCHEMBL8222273

Nc1c(-c2cccs2)cc(-c2ccccc2)[nH]c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
PIM1 P11309 3/20 0.50
PARP1 P09874 2/20 0.47
MAPT P10636 3/20 0.44
ATM Q13315 1/20 0.44
ADORA2A P29274 3/20 0.41
ADORA1 P30542 3/20 0.41
PTGER2 P43116 1/20 0.40
BTK Q06187 1/20 0.40
HPGD P15428 3/20 0.40
TNKS O95271 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
PKM P14618 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39

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
SCHEMBL3032908 0.80 PIM1 (0.80) KDM4EPIM1MAPTATMADORA2A
SCHEMBL28260510 0.77 GCGR (0.49) KDM4EMAPTHPGDMEN1ALDH1A1
SCHEMBL14385566 0.75 PIM1 (0.48) KDM4EPIM1PARP1MAPTPTGER2
SCHEMBL14385797 0.73 KDM4E (0.49) KDM4EPIM1PARP1MAPTADORA2A
SCHEMBL4408790 0.73 TAS2R38 (0.47) KDM4EPARP1MAPTHPGDPKM
SCHEMBL14439357 0.71 KDM4E (0.66) KDM4EPARP1MAPTATMADORA2A
SCHEMBL6935142 0.70 PIM1 (0.49) KDM4EPIM1PARP1PTGER2MAPK14
SCHEMBL8222270 0.70 KDM4E (0.59) KDM4EPARP1MAPTATMADORA2A
SCHEMBL14390904 0.69 PARP1 (0.53) KDM4EPIM1PARP1MAPTPTGER2
SCHEMBL13042312 0.67 MAPT (0.46) KDM4EPIM1PARP1MAPTATM

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
WO-2008006070-A2 COMPOUNDS AND COMBINATIONS THEREOF FOR INHIBITING BETA-AMYLOID PRODUCTION AND METHODS OF USE THEREOF ROSKAMP RESEARCH LLC (US) 2008-01-10 WO disclosed