SCHEMBL4746954

SCHEMBL4746954

CCCN(CCC)S(=O)(=O)c1ccc(CCC(=O)Nc2nc(-c3cccc(O)c3)cs2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.52
RORC P51449 4/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 5/20 0.47
MAPK1 P28482 2/20 0.47
ROCK1 Q13464 2/20 0.46
PRKACA P17612 1/20 0.46
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
HDAC3 O15379 3/20 0.45
HDAC1 Q13547 3/20 0.45
HDAC2 Q92769 3/20 0.45
HDAC10 Q969S8 3/20 0.45
HDAC8 Q9BY41 3/20 0.45
HDAC6 Q9UBN7 3/20 0.45
HDAC4 P56524 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC11 Q96DB2 2/20 0.45

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
SCHEMBL4749875 0.89 MAPT (0.56) RORCMAPTMAPK1ROCK1PRKACA
SCHEMBL4750359 0.87 KMT2A (0.60) RORCL3MBTL1MAPTMAPK1KDM4E
SCHEMBL4750943 0.87 MAPK1 (0.63) RORCMAPTMAPK1ROCK1PRKACA
SCHEMBL4750765 0.85 KMT2A (0.56) RORCMAPTMAPK1ROCK1PRKACA
SCHEMBL4747401 0.83 MAPT (0.67) MAPTMAPK1ROCK1KDM4EUSP2
SCHEMBL4786428 0.83 RAB9A (0.67) MAPTROCK1KDM4ETSHRMEN1
SCHEMBL4750837 0.83 MAPK1 (0.49) RORCMAPTMAPK1KDM4EUSP2
SCHEMBL4746879 0.81 SMN1; SMN2 (0.46) RORCL3MBTL1MAPTMAPK1KDM4E
SCHEMBL4747425 0.81 SLC2A1 (0.44) RORCMAPTMAPK1KDM4EUSP2
SCHEMBL4746882 0.80 SMN1; SMN2 (0.47) RORCMAPTMAPK1ROCK1KDM4E

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-2008124000-A2 THIAZOLE DERIVATIVES AS ANDROGEN RECEPTOR MODULATOR COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2008-10-16 WO claimed
WO-2008124000-A2 THIAZOLE DERIVATIVES AS ANDROGEN RECEPTOR MODULATOR COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2008-10-16 WO disclosed