SCHEMBL18801044

SCHEMBL18801044

CCN(CC)CCNc1ccccc1SCc1ccc(-c2ccoc2)c(OC)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 8/20 0.44
TOP2A P11388 1/20 0.33
TOP2B Q02880 1/20 0.33
FABP4 P15090 1/20 0.32
FABP5 Q01469 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CLK4 Q9HAZ1 2/20 0.31
CHEK1 O14757 1/20 0.31
PIM1 P11309 1/20 0.31
IDO1 P14902 1/20 0.31
LTK P29376 1/20 0.31
LIMK1 P53667 1/20 0.31
MAPT P10636 4/20 0.31
ALDH1A1 P00352 3/20 0.31
HTT P42858 3/20 0.31
CYP1A2 P05177 3/20 0.31
CYP3A4 P08684 3/20 0.31
CYP2D6 P10635 3/20 0.31
KMT2A Q03164 3/20 0.31
SMN1; SMN2 Q16637 2/20 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
SCHEMBL18801365 0.93 METAP2 (0.39) METAP2TOP2ATOP2BNPSR1CLK4
SCHEMBL18801276 0.86 METAP2 (0.42) METAP2FABP4FABP5HTTLMNA
SCHEMBL18784232 0.85 METAP2 (0.47) METAP2TOP2ATOP2BFABP4FABP5
SCHEMBL18801427 0.85 METAP2 (0.42) METAP2MAPTALDH1A1CYP1A2CYP3A4
SCHEMBL1648655 0.83 METAP2 (0.48) METAP2FABP4FABP5
SCHEMBL18801101 0.81 METAP2 (0.39) METAP2FABP4FABP5NPSR1GAA
SCHEMBL18801150 0.80 METAP2 (0.48) METAP2FABP4FABP5CYP3A4CYP2C19
SCHEMBL18801061 0.80 METAP2 (0.43) METAP2FABP4FABP5MAPTALDH1A1
SCHEMBL18801358 0.79 METAP2 (0.38) METAP2CLK4MAPTALDH1A1CYP1A2
SCHEMBL1649341 0.79 METAP2 (0.47) METAP2FABP4FABP5ALDH1A1KMT2A

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