SCHEMBL569244

SCHEMBL569244

COc1ccc(NC(=O)c2n[nH]c(-c3ccco3)c2C)cc1C(=O)NCCCN

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
LCLAT1 Q6UWP7 10/20 0.43
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
KLK7 P49862 1/20 0.42
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
ESR1 P03372 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
ESR2 Q92731 1/20 0.41
USP2 O75604 2/20 0.40
PTPN7 P35236 1/20 0.40
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL569407 0.92 LCLAT1 (0.45) MAPTLCLAT1TP53PTPN7LMNA
SCHEMBL570415 0.89 PTPN7 (0.39) MAPTKMT2AMEN1KDM4ETP53
SCHEMBL569240 0.86 MCHR1 (0.45) MAPTKMT2AMEN1TP53
SCHEMBL569794 0.86 MAPT (0.42) MAPTLCLAT1KMT2AMEN1KLK7
SCHEMBL569329 0.84 MAPK8 (0.42) MAPTKMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL569399 0.84 TTK (0.39) MAPTKMT2AMEN1
SCHEMBL570487 0.84 NPC1 (0.45) MAPTLCLAT1KMT2AMEN1KDM4E
SCHEMBL569785 0.84 HDAC8 (0.42) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL569267 0.84 MAPT (0.42) MAPTKMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL569756 0.83 DRD3 (0.54) MAPTLCLAT1KMT2AMEN1KLK7

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