SCHEMBL569245

SCHEMBL569245

COc1ccc(NC(=O)c2cc(Cc3ccco3)[nH]n2)cc1C(=O)NCCCN

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.41
MEN1 O00255 6/20 0.41
KDM4E B2RXH2 5/20 0.41
MAPT P10636 4/20 0.41
HSD17B10 Q99714 4/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 4/20 0.41
KLK7 P49862 1/20 0.41
POLB P06746 2/20 0.40
TSHR P16473 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TP53 P04637 2/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
HTT P42858 1/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL569408 0.92 MAPT (0.42) KMT2AMEN1KDM4EMAPTHSD17B10
SCHEMBL570416 0.88 ALDH1A1 (0.37) KMT2AMEN1KDM4EMAPTHSD17B10
SCHEMBL569756 0.85 DRD3 (0.54) KMT2AMEN1KDM4EMAPTHSD17B10
SCHEMBL569330 0.84 MAPK8 (0.42) KMT2AMEN1KDM4EMAPTHSD17B10
SCHEMBL569786 0.84 HCAR2 (0.48) KMT2AMEN1KDM4EMAPTHSD17B10
SCHEMBL569400 0.83 HTT (0.38) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL569396 0.83 ALDH1A1 (0.38) KMT2AMEN1KDM4EMAPTHSD17B10
SCHEMBL570488 0.83 NPC1 (0.50) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL569928 0.81 LRRK2 (0.38) KMT2AMEN1KDM4EMAPTHSD17B10
SCHEMBL569321 0.79 MEN1 (0.68) KMT2AMEN1KDM4EMAPTHSD17B10

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