SCHEMBL2659656

SCHEMBL2659656

COCCOc1ccc2[nH]c(C(=O)ON)cc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.57
KDM4E B2RXH2 5/20 0.54
ALDH1A1 P00352 4/20 0.54
HPGD P15428 2/20 0.54
NPC1 O15118 1/20 0.54
LMNA P02545 1/20 0.54
HTT P42858 1/20 0.54
RAB9A P51151 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
PDGFRB P09619 6/20 0.51
PDGFRA P16234 6/20 0.51
MAPT P10636 2/20 0.51
FLT3 P36888 4/20 0.50
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
FGFR1 P11362 1/20 0.48
FGFR2 P21802 1/20 0.48
FGFR3 P22607 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 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
SCHEMBL6422585 0.87 CFD (0.56) XDHKDM4EALDH1A1HPGDNPC1
SCHEMBL4815909 0.86 KDM4E (0.74) XDHKDM4EALDH1A1HPGDNPC1
SCHEMBL31370745 0.86 KDM4E (0.74) XDHKDM4EALDH1A1HPGDNPC1
SCHEMBL4816031 0.85 KDM4E (0.64) XDHKDM4EALDH1A1HPGDNPC1
SCHEMBL6422580 0.84 PDGFRB (0.54) XDHKDM4EALDH1A1HPGDNPC1
SCHEMBL14700502 0.83 KDM4E (0.70) XDHKDM4EALDH1A1HPGDNPC1
SCHEMBL14700438 0.83 KDM4E (0.70) XDHKDM4EALDH1A1HPGDNPC1
SCHEMBL17775015 0.83 KDM4E (0.70) XDHKDM4EALDH1A1HPGDNPC1
SCHEMBL11150792 0.83 KDM4E (0.70) XDHKDM4EALDH1A1HPGDNPC1
SCHEMBL17775014 0.83 KDM4E (0.70) XDHKDM4EALDH1A1HPGDNPC1

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
EP-2074119-A1 INDOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-07-01 EP disclosed
WO-2008050821-A1 INDOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-02 WO disclosed