SCHEMBL28700255

SCHEMBL28700255

Cc1ccccc1S(=O)(=O)Nc1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)c(NC(=O)Nc2ccc(Oc3ccccc3)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 13/20 0.62
CA12 O43570 4/20 0.50
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
CA9 Q16790 4/20 0.50
MMP2 P08253 1/20 0.48
MMP13 P45452 1/20 0.48
PGR P06401 1/20 0.47
PTGES2 Q9H7Z7 1/20 0.46

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
SCHEMBL28705138 0.91 IDH1 (0.60) IDH1PTGES2
SCHEMBL28712007 0.90 IDH1 (0.60) IDH1CA12CA1CA2CA9
SCHEMBL28696238 0.88 IDH1 (0.54) IDH1PTGES2
SCHEMBL21773305 0.85 FFAR1 (0.66) IDH1CA12CA1CA2CA9
SCHEMBL28696247 0.84 KMT2A (0.52) IDH1PTGES2
SCHEMBL28935235 0.84 IDH1 (0.60) IDH1PTGES2
SCHEMBL28691818 0.84 IDH1 (0.60) IDH1PTGES2
SCHEMBL17103003 0.80 IDH1 (0.70) IDH1
SCHEMBL17103000 0.79 GAA (0.59) IDH1PTGES2
SCHEMBL17102998 0.79 IDH1 (0.65) IDH1

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