SCHEMBL569928

SCHEMBL569928

COc1ccc(NC(=O)c2cc(Cc3cc(C)sc3C)[nH]n2)cc1C(=O)NCCCN

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.38
PDE5A O76074 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
MAPT P10636 4/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
CFTR P13569 2/20 0.33
TP53 P04637 2/20 0.33
MCHR1 Q99705 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL569396 0.82 ALDH1A1 (0.38) LRRK2PDE5AHDAC11HDAC8MAPT
SCHEMBL569786 0.81 HCAR2 (0.48) HDAC8MAPTMEN1KMT2AHPGD
SCHEMBL569245 0.81 KMT2A (0.41) MAPTMEN1KMT2AHPGDKDM4E
SCHEMBL569400 0.81 HTT (0.38) LRRK2PDE5AHDAC11HDAC8MAPT
SCHEMBL569927 0.78 KIT (0.36) LRRK2MAPTMEN1KMT2AHPGD
SCHEMBL10182581 0.76 PLA2G10 (0.46) LRRK2MAPTMEN1KMT2AHPGD
SCHEMBL569756 0.74 DRD3 (0.54) MAPTMEN1KMT2AHPGDKDM4E
SCHEMBL569408 0.74 MAPT (0.42) MAPTMEN1KMT2AHPGDKDM4E
SCHEMBL10182349 0.73 CFTR (0.43) LRRK2MAPTMEN1KMT2AHPGD
SCHEMBL10083554 0.72 KMT2A (0.44) LRRK2MAPTKMT2AMCHR1HSD17B10

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