SCHEMBL29448252

SCHEMBL29448252

O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1ccc(NS(=O)(=O)Cc2ccccc2)cc1NC(=O)Nc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.64
CA12 O43570 8/20 0.52
CA1 P00915 8/20 0.52
CA2 P00918 8/20 0.52
CA9 Q16790 8/20 0.52
AR P10275 1/20 0.50
CA4 P22748 1/20 0.48
CA7 P43166 1/20 0.48
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HPGD P15428 1/20 0.46
NAMPT P43490 3/20 0.46
MET P08581 1/20 0.46
RECQL P46063 1/20 0.44

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
SCHEMBL28700258 1.00 PGR (0.64) PGRCA12CA1CA2CA9
SCHEMBL29448253 0.91 NAMPT (0.54) PGRARKMT2AHPGDNAMPT
SCHEMBL28705140 0.91 NAMPT (0.54) PGRARKMT2AHPGDNAMPT
SCHEMBL29448247 0.90 ALDH1A1 (0.53) PGRARMEN1MAPTKMT2A
SCHEMBL28712008 0.90 ALDH1A1 (0.53) PGRARMEN1MAPTKMT2A
SCHEMBL28696239 0.86 HPGD (0.51) PGRMEN1MAPTKMT2AHPGD
SCHEMBL29448250 0.86 HPGD (0.51) PGRMEN1MAPTKMT2AHPGD
SCHEMBL29448249 0.83 NAMPT (0.51) PGRCA12CA1CA2CA9
SCHEMBL28935236 0.83 NAMPT (0.51) PGRCA12CA1CA2CA9
SCHEMBL28691820 0.83 NAMPT (0.51) PGRCA12CA1CA2CA9

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