SCHEMBL4746912

SCHEMBL4746912

CCCCNC(=O)Nc1ccc(CCC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.67
MAPK1 P28482 2/20 0.67
SMN1; SMN2 Q16637 5/20 0.64
RAB9A P51151 4/20 0.64
LMNA P02545 2/20 0.64
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
ROCK1 Q13464 2/20 0.55
ROCK2 O75116 1/20 0.55
HDAC3 O15379 2/20 0.54
HDAC4 P56524 2/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC7 Q8WUI4 2/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC10 Q969S8 2/20 0.54
HDAC11 Q96DB2 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
HDAC9 Q9UKV0 2/20 0.54
HDAC5 Q9UQL6 2/20 0.54

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
SCHEMBL4749547 0.91 MAPT (0.72) MAPTMAPK1SMN1; SMN2RAB9ALMNA
SCHEMBL4749721 0.90 MAPT (0.68) MAPTMAPK1SMN1; SMN2RAB9ALMNA
SCHEMBL4750810 0.82 MAPT (0.64) MAPTMAPK1SMN1; SMN2RAB9ALMNA
SCHEMBL4746835 0.82 MAPT (0.72) MAPTMAPK1SMN1; SMN2RAB9ALMNA
SCHEMBL4749663 0.81 MAPT (0.68) MAPTMAPK1SMN1; SMN2RAB9ALMNA
SCHEMBL14102524 0.81 MAPT (0.80) MAPTMAPK1SMN1; SMN2RAB9ALMNA
SCHEMBL4747414 0.80 MAPT (0.72) MAPTMAPK1SMN1; SMN2RAB9ALMNA
SCHEMBL4750282 0.79 MAPT (0.71) MAPTMAPK1SMN1; SMN2RAB9ALMNA
SCHEMBL4749579 0.79 MAPT (0.71) MAPTMAPK1SMN1; SMN2RAB9ALMNA
SCHEMBL4749698 0.78 MAPT (0.69) 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