SCHEMBL6998713

SCHEMBL6998713

O=C(O)Oc1c(-c2ccccc2)c(=O)[nH]c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.60
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.50
PDE9A O76083 1/20 0.49
MAP2 P11137 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
PADI4 Q9UM07 7/20 0.45
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
GAA P10253 1/20 0.44
DAO P14920 1/20 0.44
DDO Q99489 1/20 0.44
ASAH1 Q13510 1/20 0.44
IDE P14735 1/20 0.44
MPI P34949 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44

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
SCHEMBL6998517 0.83 MAPT (0.51) MAPTKDM4EALDH1A1HPGDPDE9A
SCHEMBL6991657 0.82 ALDH1A1 (0.53) MAPTKDM4EALDH1A1HPGDTDP1
SCHEMBL10648743 0.81 MAPT (0.59) MAPTKDM4EALDH1A1HPGDPDE9A
SCHEMBL28132803 0.77 MAPT (0.71) MAPTKDM4EALDH1A1HPGDPDE9A
SCHEMBL3743399 0.76 KDM4E (0.70) MAPTKDM4EALDH1A1HPGDPDE9A
SCHEMBL4455323 0.76 MAPT (1.00) MAPTKDM4EALDH1A1PDE9ADAO
SCHEMBL378030 0.76 MAPT (0.65) MAPTKDM4EALDH1A1HPGDPDE9A
SCHEMBL6825380 0.76 MAPT (0.65) MAPTKDM4EALDH1A1HPGDPDE9A
SCHEMBL6995868 0.74 KDM4E (0.64) MAPTKDM4EALDH1A1HPGDMAP2
SCHEMBL7811680 0.73 KDM4E (0.70) MAPTKDM4EALDH1A1HPGDPDE9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1003724-B1 SUBSTITUTED QUINOLINE DERIVATIVES WITH ANTIVIRAL ACTION AVENTIS PHARMA GMBH (DE) 2003-02-12 EP disclosed
EP-1003724-A1 SUBSTITUTED QUINOLINE DERIVATIVES WITH ANTIVIRAL ACTION Aventis Pharma Deutschland GmbH (DE) 2000-05-31 EP disclosed
WO-1997037977-A1 SUBSTITUTED QUINOLINE DERIVATIVES WITH ANTIVIRAL ACTION HOECHST AKTIENGESELLSCHAFT (DE) 1997-10-16 WO disclosed