SCHEMBL624372

SCHEMBL624372

COc1ccc(NC(=O)Nc2nn(C)c3ccccc23)cc1C(=O)NCCCN

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.44
MCHR2 Q969V1 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
KDR P35968 3/20 0.42
KDM4E B2RXH2 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HDAC3 O15379 3/20 0.42
HDAC1 Q13547 3/20 0.42
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
QPCT Q16769 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL10183283 0.88 HDAC3 (0.52) ALDH1A1GAAMAPTKDM4ENPSR1
SCHEMBL10182327 0.88 HDAC3 (0.43) ALDH1A1GAAMAPTKDRKDM4E
SCHEMBL10182311 0.82 HDAC1 (0.54) ALDH1A1MAPTKDM4EHDAC3HDAC1
SCHEMBL10183958 0.80 HDAC1 (0.46) ALDH1A1MAPTKDM4ENPSR1HDAC3
SCHEMBL10182441 0.80 HDAC1 (0.46) ALDH1A1MAPTKDM4ENPSR1HDAC3
SCHEMBL10182574 0.79 ROCK1 (0.49) MCHR1KDM4ENPSR1HDAC3HDAC1
SCHEMBL10182068 0.79 ROCK1 (0.47) ALDH1A1MAPTKDM4ENPSR1HDAC3
SCHEMBL10083535 0.77 DDX3X (0.49) MCHR1MCHR2MAPTHDAC3HDAC1
SCHEMBL10083543 0.77 MCHR1 (0.47) MCHR1MCHR2GAA
SCHEMBL14962251 0.77 SMN1; SMN2 (0.51) ALDH1A1MAPTKDM4ETP53HPGD

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
WO-2012020080-A2 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY II GRAFFINITY PHARMACEUTICALS GMBH (DE) 2012-02-16 WO disclosed
WO-2012020080-A2 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY II GRAFFINITY PHARMACEUTICALS GMBH (DE) 2012-02-16 WO disclosed