SCHEMBL569246

SCHEMBL569246

Cc1c(C(=O)Nc2nc(C(=O)NCCCN)cs2)n[nH]c1-c1cccs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.45
HDAC1 Q13547 3/20 0.45
HDAC6 Q9UBN7 1/20 0.45
NPC1 O15118 7/20 0.43
RAB9A P51151 6/20 0.43
TDP1 Q9NUW8 2/20 0.43
SMN1; SMN2 Q16637 5/20 0.39
HPGD P15428 2/20 0.39
MAPKAPK2 P49137 1/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 5/20 0.37
MAPK1 P28482 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
LMNA P02545 3/20 0.37
TSHR P16473 2/20 0.37
ALOX15 P16050 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CSNK2A1 P68400 1/20 0.36

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
SCHEMBL570105 0.81 NPC1 (0.43) HDAC3HDAC1NPC1RAB9AGAA
SCHEMBL569981 0.80 L3MBTL1 (0.43) HDAC3NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL569267 0.77 MAPT (0.42) NPC1RAB9ASMN1; SMN2HPGDGAA
SCHEMBL14955270 0.76 HDAC6 (0.46) HDAC3HDAC1HDAC6NPC1RAB9A
SCHEMBL570366 0.68 KMT2A (0.49) GAAKDM4EMEN1KMT2AMAPT
SCHEMBL569395 0.66 ALDH1A1 (0.38) TDP1SMN1; SMN2KDM4EHSD17B10MEN1
SCHEMBL12181187 0.66 KDM4E (0.81) HDAC3HDAC1NPC1RAB9ASMN1; SMN2
SCHEMBL17511092 0.66 RAB9A (0.70) NPC1RAB9ASMN1; SMN2HPGDKDM4E
SCHEMBL15580191 0.65 HDAC3 (0.76) HDAC3HDAC1HDAC6NPC1RAB9A
SCHEMBL6976547 0.64 NPSR1 (0.64) NPC1RAB9ASMN1; SMN2HPGDMAPKAPK2

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
EP-2601208-A2 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY Graffinity Pharmaceuticals GmbH (DE) 2013-06-12 EP disclosed
WO-2012017021-A2 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY GRAFFINITY PHARMACEUTICALS GMBH (DE) 2012-02-09 WO disclosed