SCHEMBL28705140

SCHEMBL28705140

O=C(Nc1ccccc1)Nc1ccc(NS(=O)(=O)Cc2ccccc2)cc1NC(=O)Nc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.54
HPGD P15428 1/20 0.52
KMT2A Q03164 1/20 0.50
HDAC1 Q13547 2/20 0.48
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CYP19A1 P11511 1/20 0.48
PGR P06401 1/20 0.48
AR P10275 1/20 0.47
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
BRD4 O60885 1/20 0.45
ACLY P53396 1/20 0.45
TP53 P04637 1/20 0.45
EPHX1 P07099 1/20 0.45
TSHR P16473 1/20 0.45
EPHX2 P34913 1/20 0.45
CDK9 P50750 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45

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
SCHEMBL29448253 1.00 NAMPT (0.54) NAMPTHPGDKMT2AHDAC1ALOX15
SCHEMBL29448250 0.93 HPGD (0.51) NAMPTHPGDKMT2AHDAC1ALOX15
SCHEMBL28696239 0.93 HPGD (0.51) NAMPTHPGDKMT2AHDAC1ALOX15
SCHEMBL29448245 0.92 NAMPT (0.51) NAMPTHPGDKMT2AALOX15HSD17B10
SCHEMBL28935236 0.92 NAMPT (0.51) NAMPTHPGDKMT2AALOX15HSD17B10
SCHEMBL29448249 0.92 NAMPT (0.51) NAMPTHPGDKMT2AALOX15HSD17B10
SCHEMBL28691820 0.92 NAMPT (0.51) NAMPTHPGDKMT2AALOX15HSD17B10
SCHEMBL28700258 0.91 PGR (0.64) NAMPTHPGDKMT2APGRAR
SCHEMBL29448260 0.91 HPGD (0.69) NAMPTHPGDKMT2AALOX15HSD17B10
SCHEMBL28696250 0.91 HPGD (0.69) NAMPTHPGDKMT2AALOX15HSD17B10

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