SCHEMBL5500210

SCHEMBL5500210

O=S(=O)(O)CCCNCCc1cccc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TDP1 Q9NUW8 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
CNR1 P21554 1/20 0.46
ACP3 P15309 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
ADRB2 P07550 3/20 0.43
SCN8A Q9UQD0 1/20 0.43
ROCK1 Q13464 1/20 0.42
NR3C2 P08235 1/20 0.42

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
SCHEMBL23654217 0.86 TAAR1 (0.54) MEN1KMT2AHDAC1HDAC8TAAR1
SCHEMBL3710360 0.85 HDAC1 (0.56) MEN1KMT2AHDAC1HDAC8TAAR1
SCHEMBL5503261 0.83 MEN1 (0.47) KDM4EMEN1KMT2AHDAC1HDAC8
SCHEMBL5503782 0.82 NOS1 (0.50) KDM4ETAAR1ADRB2ADORA3CHRM1
SCHEMBL29499605 0.81 KDM4E (0.54) KDM4EMEN1KMT2ATDP1HDAC1
SCHEMBL25233635 0.81 KDM4E (0.54) KDM4EMEN1KMT2ATDP1HDAC1
SCHEMBL9989291 0.80 TAAR1 (0.61) KDM4EMEN1KMT2AHDAC1HDAC8
SCHEMBL25630655 0.80 KDM4E (0.53) KDM4EMEN1KMT2ATDP1HDAC1
SCHEMBL10623816 0.79 TAAR1 (0.53) KDM4EMEN1KMT2ATDP1HDAC1
SCHEMBL10452195 0.79 ADRB2 (0.68) KDM4EMEN1KMT2ATDP1HDAC1

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-1828111-A2 METHODS AND FLUORINATED COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES Neurochem (International) Limited (CH) 2007-09-05 EP disclosed
WO-2006059252-A2 METHODS AND FLUORINATED COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2006-06-08 WO disclosed