SCHEMBL9367195

SCHEMBL9367195

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
IDH2 P48735 2/20 0.40
AR P10275 2/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
MRGPRX1 Q96LB2 2/20 0.36
ALDH1A1 P00352 3/20 0.35
HTT P42858 3/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
DRD4 P21917 1/20 0.35
ULK1 O75385 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL9367106 0.86 KMT2A (0.47) KMT2AIDH2ARMRGPRX1ALDH1A1
SCHEMBL9363632 0.83 KMT2A (0.49) KMT2AIDH2ARCA1CA2
SCHEMBL9363404 0.81 KMT2A (0.42) KMT2AIDH2ARMRGPRX1ALDH1A1
SCHEMBL9323154 0.80 KMT2A (0.49) KMT2AIDH2ARMRGPRX1ALDH1A1
SCHEMBL9363767 0.79 KMT2A (0.47) KMT2AIDH2ARCA1CA2
SCHEMBL9499710 0.79 KMT2A (0.45) KMT2AIDH2MRGPRX1ALDH1A1HTT
SCHEMBL9364278 0.78 IDH2 (0.39) KMT2AIDH2ARCA12CA1
SCHEMBL9363735 0.77 KMT2A (0.46) KMT2AIDH2CA1CA2CA4
SCHEMBL9363682 0.77 KMT2A (0.51) KMT2AIDH2ARCA12CA1
SCHEMBL9499786 0.77 KMT2A (0.46) KMT2AIDH2ARMRGPRX1MAPT

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 3 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
EP-0447013-A1 Fluorobenzene sulphonamides SCHERING AKTIENGESELLSCHAFT (DE) 1991-09-18 EP disclosed