SCHEMBL9323154

SCHEMBL9323154

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
IDH2 P48735 2/20 0.43
MRGPRX1 Q96LB2 4/20 0.41
MRGPRX4 Q96LA9 1/20 0.36
PTGES2 Q9H7Z7 1/20 0.36
AR P10275 2/20 0.36
MPO P05164 1/20 0.36
ALOX15 P16050 1/20 0.36
ACLY P53396 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
THRB P10828 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
SCHEMBL9363632 0.87 KMT2A (0.49) KMT2AIDH2MRGPRX1ARMEN1
SCHEMBL9363911 0.86 IDH2 (0.41) KMT2AIDH2MRGPRX1MRGPRX4PTGES2
SCHEMBL9367106 0.85 KMT2A (0.47) KMT2AIDH2MRGPRX1ARMEN1
SCHEMBL9499786 0.85 KMT2A (0.46) KMT2AIDH2MRGPRX1ARACLY
SCHEMBL9321851 0.83 KMT2A (0.55) KMT2AACLYALDH1A1LMNAGAA
SCHEMBL9363735 0.83 KMT2A (0.46) KMT2AIDH2MRGPRX1
SCHEMBL9363767 0.82 KMT2A (0.47) KMT2AIDH2MRGPRX1MRGPRX4AR
SCHEMBL9363652 0.81 KMT2A (0.46) KMT2AIDH2MRGPRX1ARALDH1A1
SCHEMBL9367195 0.80 KMT2A (0.47) KMT2AIDH2MRGPRX1MRGPRX4AR
SCHEMBL9368626 0.80 IDH2 (0.40) KMT2AIDH2MRGPRX1PTGES2AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0447013-B1 Fluorobenzene sulphonamides SCHERING AG (DE) 1994-08-03 EP disclosed
EP-0368429-B1 Fluor-substituted benzene derivatives SCHERING AG (DE) 1994-02-09 EP disclosed
US-5210290-A NMR diagnostic aid SCHERING AKTIENGESELLSCHAFT (DE) 1993-05-11 US disclosed
US-5130119-A Sulfonamide or hydroxy fluorine substituted benzene for medical diagnosis SCHERING AKTIENGESELLSCHAFT (DE) 1992-07-14 US disclosed
EP-0447013-A1 Fluorobenzene sulphonamides SCHERING AKTIENGESELLSCHAFT (DE) 1991-09-18 EP disclosed
EP-0368429-A2 Fluor-substituted benzene derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1990-05-16 EP disclosed