SCHEMBL18801352

SCHEMBL18801352

COC(=O)c1c(C[S+]([O-])c2ccc(F)cc2Br)ccc(Br)c1OC

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
METAP2 P50579 3/20 0.33
MAPT P10636 5/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
P2RX7 Q99572 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
LMNA P02545 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HTR2A P28223 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL18801192 0.87 METAP2 (0.34) NPSR1SMN1; SMN2L3MBTL1METAP2MAPT
SCHEMBL18801177 0.84 MEN1 (0.36) NPSR1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL18801342 0.84 ALDH1A1 (0.36) NPSR1SMN1; SMN2L3MBTL1MAPTMEN1
SCHEMBL18801182 0.82 MEN1 (0.39) NPSR1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL18801468 0.80 LMNA (0.37) SMN1; SMN2L3MBTL1MAPTMEN1KMT2A
SCHEMBL18801127 0.78 MEN1 (0.36) NPSR1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL1648199 0.76 ALOX5 (0.36) NPSR1SMN1; SMN2L3MBTL1MAPTMEN1
SCHEMBL18801069 0.75 KDM4E (0.32) NPSR1KDM4EGAALMNAHPGD
SCHEMBL436712 0.75 METAP2 (0.41) NPSR1SMN1; SMN2METAP2MAPTMEN1
SCHEMBL18801337 0.74 SMN1; SMN2 (0.37) NPSR1SMN1; SMN2L3MBTL1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2486004-B1 SULPHONE COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY ZAFGEN INC (US) 2017-05-03 EP disclosed