SCHEMBL569786

SCHEMBL569786

COc1ccc(NC(=O)c2cc(Cc3cccc(Cl)c3)[nH]n2)cc1C(=O)NCCCN

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.48
POLB P06746 2/20 0.44
BRD4 O60885 1/20 0.43
HDAC8 Q9BY41 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
DNMT3A Q9Y6K1 1/20 0.40

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
SCHEMBL569245 0.84 KMT2A (0.41) POLBMEN1KMT2ACYP2C9CYP2C19
SCHEMBL569400 0.83 HTT (0.38) HDAC8MEN1KMT2ACYP2C9CYP2C19
SCHEMBL569928 0.81 LRRK2 (0.38) HDAC8MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL569396 0.81 ALDH1A1 (0.38) POLBHDAC8MEN1KMT2ACYP2C9
SCHEMBL569785 0.79 HDAC8 (0.42) HDAC8MEN1KMT2ACYP2C9CYP2C19
SCHEMBL569756 0.77 DRD3 (0.54) POLBMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL10182249 0.76 JAK2 (0.46) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL10182396 0.76 CFTR (0.44) POLBHDAC8MEN1KMT2ACYP2C9
SCHEMBL569408 0.76 MAPT (0.42) POLBMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL10083554 0.75 KMT2A (0.44) POLBKMT2AMAPTALDH1A1HSD17B10

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