SCHEMBL366059

SCHEMBL366059

CC(=O)c1ccc2c(C(=O)NS(=O)(=O)Cc3cccnc3)c3ccccn3c2c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 1/20 0.38
TSHR P16473 2/20 0.38
POLB P06746 2/20 0.38
P4HTM Q9NXG6 1/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 1/20 0.37
NAMPT P43490 5/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 1/20 0.36
ALOX12 P18054 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35

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
SCHEMBL366209 0.90 HPGD (0.46) P4HTMKDM4EALDH1A1LMNAMAPT
SCHEMBL366060 0.85 LMNA (0.42) TSHRP4HTMKDM4EALDH1A1NAMPT
SCHEMBL366382 0.85 HPGD (0.38) POLBP4HTMKDM4EALDH1A1LMNA
SCHEMBL365440 0.83 MAPT (0.41) KDM4EALDH1A1HSD17B10LMNAHTT
SCHEMBL365602 0.81 ALDH1A1 (0.41) S1PR3TSHRPOLBKDM4EALDH1A1
SCHEMBL366252 0.81 ALDH1A1 (0.39) KDM4EALDH1A1HSD17B10LMNAHTT
SCHEMBL366977 0.79 SCN9A (0.46) KDM4EALDH1A1MAPTHPGDKMT2A
SCHEMBL364815 0.79 PTPN1 (0.39) KDM4EALDH1A1HSD17B10LMNAHTT
SCHEMBL365519 0.74 KMT2A (0.45) POLBMAPTHPGDKMT2A
SCHEMBL366210 0.74 HPGD (0.47) POLBP4HTMKDM4EALDH1A1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed