SCHEMBL4749698

SCHEMBL4749698

CCOc1ccc(CCC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)cc1OCC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.69
MAPK1 P28482 2/20 0.69
SMN1; SMN2 Q16637 5/20 0.66
RAB9A P51151 3/20 0.66
LMNA P02545 2/20 0.66
HDAC3 O15379 2/20 0.58
HDAC4 P56524 2/20 0.58
HDAC1 Q13547 2/20 0.58
HDAC7 Q8WUI4 2/20 0.58
HDAC2 Q92769 2/20 0.58
HDAC10 Q969S8 2/20 0.58
HDAC11 Q96DB2 2/20 0.58
HDAC8 Q9BY41 2/20 0.58
HDAC6 Q9UBN7 2/20 0.58
HDAC9 Q9UKV0 2/20 0.58
HDAC5 Q9UQL6 2/20 0.58
WNT3A P56704 1/20 0.58
MEN1 O00255 7/20 0.57
KMT2A Q03164 7/20 0.57
ALDH1A1 P00352 3/20 0.57

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
SCHEMBL4750292 0.87 MAPT (0.64) MAPTMAPK1SMN1; SMN2RAB9ALMNA
SCHEMBL14102524 0.82 MAPT (0.80) MAPTMAPK1SMN1; SMN2RAB9ALMNA
SCHEMBL4747350 0.82 MAPT (0.57) MAPTMAPK1SMN1; SMN2RAB9ALMNA
SCHEMBL3612273 0.82 KMT2A (0.68) MAPTMAPK1SMN1; SMN2RAB9ALMNA
SCHEMBL4787127 0.80 MAPT (0.67) MAPTMAPK1SMN1; SMN2RAB9ALMNA
SCHEMBL4747414 0.79 MAPT (0.72) MAPTMAPK1SMN1; SMN2RAB9ALMNA
SCHEMBL4749547 0.79 MAPT (0.72) MAPTMAPK1SMN1; SMN2RAB9ALMNA
SCHEMBL4747421 0.79 SMN1; SMN2 (0.72) MAPTMAPK1SMN1; SMN2RAB9ALMNA
SCHEMBL4750282 0.79 MAPT (0.71) MAPTMAPK1SMN1; SMN2RAB9ALMNA
SCHEMBL4746912 0.78 MAPT (0.67) 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 3 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
WO-2008124000-A2 THIAZOLE DERIVATIVES AS ANDROGEN RECEPTOR MODULATOR COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2008-10-16 WO disclosed