SCHEMBL8930304

SCHEMBL8930304

Cc1c(C(N)=O)c(=O)[nH]c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.60
DDO Q99489 1/20 0.60
KDM4E B2RXH2 8/20 0.56
TDP1 Q9NUW8 1/20 0.56
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
ALDH1A1 P00352 4/20 0.54
HSD17B10 Q99714 2/20 0.54
HPGD P15428 1/20 0.54
PADI4 Q9UM07 1/20 0.52
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
NLRP3 Q96P20 1/20 0.48
MAPT P10636 3/20 0.47
IDE P14735 1/20 0.47
MPI P34949 1/20 0.47
CACNA1B Q00975 1/20 0.47
APBA1 Q02410 1/20 0.47
AHR P35869 1/20 0.47
TNKS O95271 1/20 0.47

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
SCHEMBL5280341 0.87 KDM4E (0.56) DAODDOKDM4ETDP1MEN1
SCHEMBL1037203 0.85 KDM4E (0.72) DAODDOKDM4ETDP1MEN1
SCHEMBL19952775 0.85 KDM4E (0.69) DAODDOKDM4ETDP1MEN1
SCHEMBL29612172 0.85 KDM4E (0.69) DAODDOKDM4ETDP1MEN1
SCHEMBL8930303 0.83 DAO (0.60) DAODDOKDM4ETDP1MEN1
SCHEMBL12277477 0.82 KDM4E (0.58) DAODDOKDM4ETDP1MEN1
SCHEMBL1621884 0.81 KDM4E (0.68) DAODDOKDM4ETDP1MEN1
SCHEMBL1228041 0.81 KDM4E (0.62) KDM4ETDP1MEN1KMT2AALDH1A1
SCHEMBL12245172 0.81 DAO (0.57) DAODDOKDM4ETDP1MEN1
SCHEMBL14767763 0.81 KDM4E (0.71) DAODDOKDM4ETDP1MEN1

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-1997032580-A1 3-SUBSTITUTED-4-OXA-1-AZABICYCLO[3,2,0]HEPTAN-7-ONE AS CYSTEINE PROTEASE INHIBITORS SYNPHAR LABORATORIES INC. (US) 1997-09-12 WO disclosed