SCHEMBL4749573

SCHEMBL4749573

CCCCS(=O)(=O)c1ccc(C=CC(=O)Nc2nc(-c3ccncc3)cs2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.63
KDM4E B2RXH2 4/20 0.63
LMNA P02545 3/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
MAPK1 P28482 2/20 0.63
CLK1 P49759 2/20 0.57
PARP1 P09874 2/20 0.55
PAX8 Q06710 1/20 0.55
HDAC4 P56524 2/20 0.50
MEF2D Q14814 2/20 0.50
PTGS2 P35354 1/20 0.50
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
HTT P42858 2/20 0.47
RORC P51449 2/20 0.46
HPGD P15428 2/20 0.46
RECQL P46063 1/20 0.46
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HDAC1 Q13547 1/20 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
SCHEMBL4749567 1.00 MAPT (0.63) MAPTKDM4ELMNASMN1; SMN2MAPK1
SCHEMBL4749569 1.00 MAPT (0.63) MAPTKDM4ELMNASMN1; SMN2MAPK1
SCHEMBL4749615 0.89 PARP1 (0.58) MAPTKDM4ELMNASMN1; SMN2MAPK1
SCHEMBL4749605 0.89 PARP1 (0.58) MAPTKDM4ELMNASMN1; SMN2MAPK1
SCHEMBL4749611 0.89 PARP1 (0.58) MAPTKDM4ELMNASMN1; SMN2MAPK1
SCHEMBL4749909 0.87 PARP1 (0.58) MAPTKDM4ELMNASMN1; SMN2MAPK1
SCHEMBL4749906 0.87 PARP1 (0.58) MAPTKDM4ELMNASMN1; SMN2MAPK1
SCHEMBL4749905 0.87 PARP1 (0.58) MAPTKDM4ELMNASMN1; SMN2MAPK1
SCHEMBL4749873 0.85 KMT2A (0.61) MAPTKDM4ELMNASMN1; SMN2MAPK1
SCHEMBL4749867 0.85 KMT2A (0.61) MAPTKDM4ELMNASMN1; SMN2MAPK1

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