SCHEMBL569396

SCHEMBL569396

COc1ccc(NC(=O)c2cc(Cc3cc(Br)cs3)[nH]n2)cc1C(=O)NCCCN

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
KMT2A Q03164 2/20 0.37
HPGD P15428 1/20 0.37
MAPT P10636 4/20 0.37
HSD17B10 Q99714 3/20 0.37
GFER P55789 1/20 0.37
LRRK2 Q5S007 1/20 0.36
MCHR1 Q99705 1/20 0.36
PDE5A O76074 1/20 0.36
HDAC11 Q96DB2 1/20 0.36

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 0.83 KMT2A (0.41) ALDH1A1HTTNPSR1CYP1A2CYP2C9
SCHEMBL569928 0.82 LRRK2 (0.38) NPSR1KDM4ESMN1; SMN2KMT2AHPGD
SCHEMBL569786 0.81 HCAR2 (0.48) ALDH1A1CYP2C9CYP2C19KDM4ESMN1; SMN2
SCHEMBL569400 0.81 HTT (0.38) ALDH1A1HTTCYP2C9CYP2C19TDP1
SCHEMBL569395 0.77 ALDH1A1 (0.38) ALDH1A1HTTNPSR1CYP1A2CYP2C9
SCHEMBL10182329 0.76 CFTR (0.40) ALDH1A1HTTNPSR1CYP1A2CYP2C9
SCHEMBL569756 0.76 DRD3 (0.54) ALDH1A1HTTTDP1KDM4ESMN1; SMN2
SCHEMBL569408 0.75 MAPT (0.42) ALDH1A1HTTTDP1KDM4ESMN1; SMN2
SCHEMBL569511 0.73 MAPT (0.47) ALDH1A1NPSR1CYP1A2CYP2C19CYP3A4
SCHEMBL10083554 0.72 KMT2A (0.44) ALDH1A1KMT2AMAPTHSD17B10LRRK2

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