SCHEMBL9367106

SCHEMBL9367106

O=C(O)CCNC(=O)CS(=O)(=O)Nc1ccc(F)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
IDH2 P48735 1/20 0.42
AR P10275 1/20 0.38
GCGR P47871 2/20 0.37
MCL1 Q07820 1/20 0.37
MRGPRX1 Q96LB2 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
DRD4 P21917 1/20 0.35

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
SCHEMBL9364278 0.90 IDH2 (0.39) KMT2AIDH2ARGCGRMCL1
SCHEMBL9363632 0.88 KMT2A (0.49) KMT2AIDH2ARMCL1MRGPRX1
SCHEMBL9367195 0.86 KMT2A (0.47) KMT2AIDH2ARMRGPRX1MEN1
SCHEMBL9323154 0.85 KMT2A (0.49) KMT2AIDH2ARMRGPRX1MEN1
SCHEMBL9363404 0.85 KMT2A (0.42) KMT2AIDH2ARMRGPRX1NPSR1
SCHEMBL9363911 0.83 IDH2 (0.41) KMT2AIDH2MRGPRX1LMNAFFAR4
SCHEMBL9363735 0.82 KMT2A (0.46) KMT2AIDH2MRGPRX1
SCHEMBL9363767 0.81 KMT2A (0.47) KMT2AIDH2ARMRGPRX1
SCHEMBL9368626 0.79 IDH2 (0.40) KMT2AIDH2ARMCL1MRGPRX1
SCHEMBL9367199 0.79 SLC22A12 (0.45) IDH2ARGCGRLMNAGAA

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-0447013-B1 Fluorobenzene sulphonamides SCHERING AG (DE) 1994-08-03 EP disclosed
US-5210290-A NMR diagnostic aid SCHERING AKTIENGESELLSCHAFT (DE) 1993-05-11 US disclosed