SCHEMBL569330

SCHEMBL569330

NCCCNC(=O)c1ccc(NC(=O)c2cc(Cc3ccco3)[nH]n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.42
SNCA P37840 1/20 0.40
NAMPT P43490 1/20 0.39
TDP1 Q9NUW8 4/20 0.39
PKM P14618 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 5/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
HPGD P15428 1/20 0.37
FLT3 P36888 1/20 0.37
MEN1 O00255 3/20 0.37

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
SCHEMBL570488 0.91 NPC1 (0.50) SNCATDP1PKMNPC1RAB9A
SCHEMBL570416 0.87 ALDH1A1 (0.37) TDP1PKMNPC1RAB9AALDH1A1
SCHEMBL569245 0.84 KMT2A (0.41) TDP1NPC1RAB9AALDH1A1TSHR
SCHEMBL569408 0.83 MAPT (0.42) TDP1ALDH1A1TSHRHSD17B10L3MBTL1
SCHEMBL14955715 0.72 ALDH1A1 (0.45) NAMPTTDP1ALDH1A1HSD17B10L3MBTL1
SCHEMBL569329 0.72 MAPK8 (0.42) MAPK8NAMPTTDP1ALDH1A1HSD17B10
SCHEMBL569678 0.71 HCAR2 (0.61) TDP1PKMMEN1KMT2APOLB
SCHEMBL569756 0.68 DRD3 (0.54) TDP1ALDH1A1HSD17B10L3MBTL1SMN1; SMN2
SCHEMBL14159023 0.66 CYP1A2 (0.63) MAPK8NPC1RAB9AALDH1A1TSHR
SCHEMBL569471 0.64 RET (0.44) MAPK8TDP1NPC1RAB9AALDH1A1

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