SCHEMBL9364388

SCHEMBL9364388

COC(=O)CC(NC(=O)CS(=O)(=O)Nc1ccc(F)cc1C(F)(F)F)C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MRGPRX1 Q96LB2 4/20 0.37
IDH2 P48735 1/20 0.35
MAPK14 Q16539 2/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
MCL1 Q07820 1/20 0.33
NR3C2 P08235 1/20 0.33
AR P10275 1/20 0.33
CDK2 P24941 1/20 0.33
HTT P42858 1/20 0.32
CASP3 P42574 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32

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
SCHEMBL9501054 0.92 KMT2A (0.42) KMT2AMRGPRX1IDH2ARHTT
SCHEMBL9364420 0.90 CA12 (0.38) KMT2ACA12CA9CA1CA2
SCHEMBL9500279 0.90 KMT2A (0.44) KMT2ACA12CA9MRGPRX1IDH2
SCHEMBL9499786 0.83 KMT2A (0.46) KMT2AMRGPRX1IDH2AR
SCHEMBL9363379 0.82 KMT2A (0.41) KMT2ACA12CA9CA1CA2
SCHEMBL9363640 0.82 SLC22A12 (0.43) CA12CA9CA1CA2IDH2
SCHEMBL9363735 0.81 KMT2A (0.46) KMT2ACA1CA2MRGPRX1IDH2
SCHEMBL9364281 0.81 MEN1 (0.43) KMT2ACA12CA9CA1CA2
SCHEMBL9363767 0.81 KMT2A (0.47) KMT2ACA1CA2MRGPRX1IDH2
SCHEMBL9502967 0.80 KMT2A (0.43) KMT2AMRGPRX1IDH2ARHTT

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-0447013-B1 Fluorobenzene sulphonamides SCHERING AG (DE) 1994-08-03 EP disclosed