SCHEMBL4750282

SCHEMBL4750282

CCCS(=O)(=O)c1ccc(CCC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.71
MAPK1 P28482 4/20 0.71
SMN1; SMN2 Q16637 3/20 0.68
RAB9A P51151 3/20 0.68
LMNA P02545 2/20 0.68
HDAC3 O15379 1/20 0.57
HDAC4 P56524 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57
KCNQ1 P51787 1/20 0.57
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
ALDH1A1 P00352 2/20 0.56

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
SCHEMBL4749663 0.87 MAPT (0.68) MAPTMAPK1SMN1; SMN2RAB9ALMNA
SCHEMBL4747401 0.86 MAPT (0.67) MAPTMAPK1SMN1; SMN2RAB9ALMNA
SCHEMBL27191703 0.84 CLK1 (0.79) MAPTMAPK1SMN1; SMN2RAB9ALMNA
SCHEMBL4750233 0.83 MAPT (0.65) MAPTMAPK1SMN1; SMN2RAB9ALMNA
SCHEMBL14102524 0.83 MAPT (0.80) MAPTMAPK1SMN1; SMN2RAB9ALMNA
SCHEMBL4750810 0.83 MAPT (0.64) MAPTMAPK1SMN1; SMN2RAB9ALMNA
SCHEMBL4747414 0.82 MAPT (0.72) MAPTMAPK1SMN1; SMN2RAB9ALMNA
SCHEMBL4746956 0.81 PARP1 (0.60) MAPTMAPK1SMN1; SMN2RAB9ALMNA
SCHEMBL4746958 0.81 PARP1 (0.60) MAPTMAPK1SMN1; SMN2RAB9ALMNA
SCHEMBL4746970 0.81 PARP1 (0.60) MAPTMAPK1SMN1; SMN2RAB9ALMNA

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