SCHEMBL4750765

SCHEMBL4750765

CCCN(CCC)S(=O)(=O)c1ccc(CCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.56
MAPK1 P28482 5/20 0.55
CLK1 P49759 1/20 0.55
LMNA P02545 5/20 0.53
MEN1 O00255 5/20 0.52
MAPT P10636 3/20 0.52
ALDH1A1 P00352 1/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
HDAC9 Q9UKV0 2/20 0.52
PRKACA P17612 1/20 0.51
ROCK1 Q13464 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51

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
SCHEMBL4750943 0.91 MAPK1 (0.63) KMT2AMAPK1CLK1LMNAMEN1
SCHEMBL4747401 0.89 MAPT (0.67) KMT2AMAPK1LMNAMEN1MAPT
SCHEMBL4750837 0.89 MAPK1 (0.49) KMT2AMAPK1CLK1LMNAMEN1
SCHEMBL4750359 0.86 KMT2A (0.60) KMT2AMAPK1CLK1LMNAMEN1
SCHEMBL4746954 0.85 ABL1 (0.52) KMT2AMAPK1LMNAMEN1MAPT
SCHEMBL14102962 0.84 KMT2A (0.77) KMT2AMAPK1CLK1LMNAMEN1
SCHEMBL4786428 0.84 RAB9A (0.67) KMT2ACLK1LMNAMEN1MAPT
SCHEMBL4749875 0.83 MAPT (0.56) KMT2AMAPK1LMNAMEN1MAPT
SCHEMBL4746879 0.82 SMN1; SMN2 (0.46) KMT2AMAPK1CLK1LMNAMEN1
SCHEMBL4788490 0.82 ALDH1A1 (0.64) KMT2AMAPK1LMNAMEN1MAPT

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