SCHEMBL569400

SCHEMBL569400

COc1ccc(NC(=O)c2cc(Cc3cccn3C)[nH]n2)cc1C(=O)NCCCN

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
HTR4 Q13639 1/20 0.37
LRRK2 Q5S007 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PDE5A O76074 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
MEN1 O00255 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
MCHR1 Q99705 3/20 0.36
QPCT Q16769 1/20 0.35
FLT1 P17948 1/20 0.35
KDR P35968 1/20 0.35

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
SCHEMBL569786 0.83 HCAR2 (0.48) ALDH1A1MAPTKDM4EHDAC8SMN1; SMN2
SCHEMBL569245 0.83 KMT2A (0.41) HTTALDH1A1MAPTKDM4EMAPK1
SCHEMBL569396 0.81 ALDH1A1 (0.38) HTTLRRK2ALDH1A1MAPTKDM4E
SCHEMBL569928 0.81 LRRK2 (0.38) LRRK2MAPTKDM4EMAPK1PDE5A
SCHEMBL10183272 0.78 CFTR (0.41) LRRK2ALDH1A1MAPTKDM4EPDE5A
SCHEMBL569756 0.76 DRD3 (0.54) HTTALDH1A1MAPTKDM4ETDP1
SCHEMBL569408 0.75 MAPT (0.42) HTTALDH1A1MAPTKDM4ETDP1
SCHEMBL10182349 0.75 CFTR (0.43) LRRK2ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL10182336 0.74 TP53 (0.58) ALDH1A1MAPTKDM4ETDP1SMN1; SMN2
SCHEMBL10183415 0.73 DRD2 (0.51) ALDH1A1MAPTKDM4ESMN1; SMN2MEN1

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