SCHEMBL4063165

SCHEMBL4063165

O=C(O)Cc1c[nH]c2cccc(OCCCSc3ccncc3)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
DNMT1 P26358 1/20 0.48
RECQL P46063 1/20 0.48
CASP6 P55212 1/20 0.48
KMT2A Q03164 1/20 0.48
MCL1 Q07820 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ADRB2 P07550 1/20 0.39
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MTNR1A P48039 1/20 0.36

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
SCHEMBL7360256 0.73 HTR2A (0.62) GAAALDH1A1KDM4EMEN1POLB
SCHEMBL4053587 0.73 PPARG (0.47) GAAALDH1A1KDM4EMEN1POLB
SCHEMBL6770793 0.72 KDM4E (0.64) GAAALDH1A1KDM4EMEN1POLB
SCHEMBL4053397 0.72 MCL1 (0.50) GAAALDH1A1KDM4EMEN1POLB
SCHEMBL4064985 0.72 PPARA (0.51) GAAALDH1A1KDM4EMEN1POLB
SCHEMBL4061859 0.71 MCL1 (0.42) GAAALDH1A1KDM4EMEN1POLB
SCHEMBL6616076 0.71 KDM4E (0.51) KDM4EPPARGPPARDPPARA
SCHEMBL4060883 0.70 MCL1 (0.41) GAAALDH1A1KDM4EMEN1POLB
SCHEMBL6983069 0.69 GAA (0.56) GAAALDH1A1KDM4EMEN1POLB
SCHEMBL4055592 0.69 PPARA (0.54) GAAALDH1A1KDM4EMEN1POLB

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-1689389-A4 INDOLE COMPOUNDS NAT HEALTH RESEARCH INSTITUTES (TW) 2009-06-17 EP disclosed
EP-1689389-A2 INDOLE COMPOUNDS National Health Research Institutes (TW) 2006-08-16 EP disclosed
WO-2005056522-A2 INDOLE COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2005-06-23 WO disclosed