SCHEMBL28705138

SCHEMBL28705138

Cc1ccccc1S(=O)(=O)Nc1ccc(NC(=O)Nc2ccccc2)c(NC(=O)Nc2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 15/20 0.60
LIPG Q9Y5X9 1/20 0.53
KCNJ6 P48051 1/20 0.52
KCNJ5 P48544 1/20 0.52
KCNJ3 P48549 1/20 0.52
MAPT P10636 1/20 0.52
PTGES2 Q9H7Z7 1/20 0.51

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
SCHEMBL28696238 0.94 IDH1 (0.54) IDH1MAPTPTGES2
SCHEMBL28691818 0.93 IDH1 (0.60) IDH1KCNJ6KCNJ5KCNJ3PTGES2
SCHEMBL28935235 0.93 IDH1 (0.60) IDH1KCNJ6KCNJ5KCNJ3MAPT
SCHEMBL28700255 0.91 IDH1 (0.62) IDH1PTGES2
SCHEMBL28696247 0.91 KMT2A (0.52) IDH1MAPTPTGES2
SCHEMBL28712007 0.90 IDH1 (0.60) IDH1KCNJ6KCNJ5KCNJ3MAPT
SCHEMBL17103003 0.88 IDH1 (0.70) IDH1KCNJ6KCNJ5KCNJ3MAPT
SCHEMBL17103000 0.87 GAA (0.59) IDH1LIPGKCNJ6KCNJ5KCNJ3
SCHEMBL30294174 0.87 GAA (0.59) IDH1LIPGKCNJ6KCNJ5KCNJ3
SCHEMBL17102998 0.87 IDH1 (0.65) IDH1KCNJ6KCNJ5KCNJ3MAPT

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
CN-110267939-B Thermosensitive recording material 奥古斯特科勒纸厂欧洲公司 2022-03-15 CN disclosed