SCHEMBL5503261

SCHEMBL5503261

O=S(=O)(O)CCCNCCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SLC6A5 Q9Y345 2/20 0.46
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
PLAAT3 P53816 1/20 0.43
PLAAT5 Q96KN8 1/20 0.43
PLAAT2 Q9NWW9 1/20 0.43
PLAAT4 Q9UL19 1/20 0.43
CNR1 P21554 1/20 0.42
RORC P51449 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
GPR55 Q9Y2T6 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL6009391 0.87 SCN8A (0.49) SLC6A5HDAC1HDAC8RORC
SCHEMBL9957835 0.84 HDAC1 (0.51) KMT2AHDAC1HDAC8TAAR1
SCHEMBL5500210 0.83 KDM4E (0.49) MEN1KMT2AHDAC1HDAC8CNR1
SCHEMBL5504458 0.83 CA12 (0.50) TAAR1SIGMAR1KDM4E
SCHEMBL918611 0.80 CA12 (0.50) KMT2ATAAR1SIGMAR1
SCHEMBL31618076 0.80 TAAR1 (0.47) MEN1KMT2ASLC6A5HDAC1HDAC8
SCHEMBL5509232 0.77 CHRM2 (0.50) HDAC1HDAC8SIGMAR1
SCHEMBL5775963 0.77 MEN1 (0.54) MEN1KMT2AKDM4E
SCHEMBL4655812 0.76 TAAR1 (0.50) MEN1KMT2ASLC6A5HDAC1HDAC8
SCHEMBL6009871 0.75 CA1 (0.44) KDM4E

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