SCHEMBL9367203

SCHEMBL9367203

COC(=O)CCS(=O)(=O)Nc1ccc(F)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 5/20 0.42
MITF O75030 1/20 0.42
S1PR4 O95977 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
S1PR1 P21453 1/20 0.42
STAT3 P40763 1/20 0.42
STAT1 P42224 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
KMT2A Q03164 1/20 0.39
JAK1 P23458 2/20 0.39
JAK2 O60674 1/20 0.39
TYK2 P29597 1/20 0.39

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
SCHEMBL9499786 0.87 KMT2A (0.46) MRGPRX1SMN1; SMN2KMT2AJAK1CCR2
SCHEMBL9363911 0.86 IDH2 (0.41) MRGPRX1LMNACA12CA2CA7
SCHEMBL9364420 0.84 CA12 (0.38) MRGPRX1MITFS1PR4LMNAHPGD
SCHEMBL9502941 0.82 GAA (0.40) MRGPRX1LMNAHPGDHTTSMN1; SMN2
SCHEMBL9499704 0.81 ULK1 (0.37) MRGPRX1LMNAHPGDSTAT1HTT
SCHEMBL9368768 0.81 NPC1 (0.40) MRGPRX1S1PR4LMNAHPGDS1PR1
SCHEMBL9368626 0.80 IDH2 (0.40) MRGPRX1HTTCA12CA2CA7
SCHEMBL9363636 0.79 KMT2A (0.37) MRGPRX1HTTSMN1; SMN2KMT2ACCR2
SCHEMBL9364278 0.79 IDH2 (0.39) MRGPRX1LMNAHTTNPSR1CA12
SCHEMBL9501500 0.78 EPHX2 (0.38) MRGPRX1HTTKMT2AJAK1CCR2

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