SCHEMBL18784221

SCHEMBL18784221

CCN(CC)CCNc1ccccc1S(=O)(=O)Cc1ccc(-c2ccoc2)c(OC)c1C(O)C(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 9/20 0.39
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33
NAT1 P18440 1/20 0.33
P4HB P07237 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
BRD4 O60885 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
GFER P55789 1/20 0.30
ITGAV P06756 1/20 0.30

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
SCHEMBL18784222 0.87 METAP2 (0.41) METAP2FABP4FABP5CYP3A4CYP2C9
SCHEMBL1648655 0.85 METAP2 (0.48) METAP2FABP4FABP5
SCHEMBL1648156 0.84 METAP2 (0.43) METAP2FABP4FABP5CYP3A4CYP2C9
SCHEMBL1649183 0.81 METAP2 (0.52) METAP2FABP4FABP5
SCHEMBL1648326 0.79 METAP2 (0.47) METAP2FABP4FABP5
SCHEMBL18784232 0.75 METAP2 (0.47) METAP2FABP4FABP5HTTCYP3A4
SCHEMBL18784217 0.74 GBA1 (0.34) METAP2NAT1ALDH1A1
SCHEMBL1648930 0.72 METAP2 (0.47) METAP2FABP4FABP5
SCHEMBL18784220 0.72 METAP2 (0.47) METAP2FABP4FABP5CA12CA1
SCHEMBL1647920 0.71 METAP2 (0.43) METAP2FABP4FABP5BRD4

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