SCHEMBL4750837

SCHEMBL4750837

CCCN(CCC)S(=O)(=O)c1ccc(CCC(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.49
MAPT P10636 3/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
RORC P51449 3/20 0.48
KDM4E B2RXH2 3/20 0.47
USP2 O75604 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
MRE11 P49959 1/20 0.47
MEN1 O00255 5/20 0.47

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
SCHEMBL4750765 0.89 KMT2A (0.56) MAPK1MAPTHDAC3HDAC4HDAC1
SCHEMBL4750943 0.88 MAPK1 (0.63) MAPK1MAPTHDAC3HDAC4HDAC1
SCHEMBL4747401 0.87 MAPT (0.67) MAPK1MAPTHDAC3HDAC4HDAC1
SCHEMBL4750359 0.83 KMT2A (0.60) MAPK1MAPTHDAC3HDAC4HDAC1
SCHEMBL4746954 0.83 ABL1 (0.52) MAPK1MAPTHDAC3HDAC4HDAC1
SCHEMBL4786428 0.82 RAB9A (0.67) MAPTKDM4ETSHRMEN1KMT2A
SCHEMBL4788490 0.81 ALDH1A1 (0.64) MAPK1MAPTHDAC3HDAC4HDAC1
SCHEMBL4749875 0.81 MAPT (0.56) MAPK1MAPTRORCUSP2HPGD
SCHEMBL4746879 0.80 SMN1; SMN2 (0.46) MAPK1MAPTHDAC3HDAC4HDAC1
SCHEMBL4747425 0.79 SLC2A1 (0.44) MAPK1MAPTHDAC3HDAC4HDAC1

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