SCHEMBL4747504

SCHEMBL4747504

COc1ccc(-c2csc(NC(=O)CCc3ccc(CC(F)(F)Cl)cc3N)n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.59
MAPK1 P28482 2/20 0.59
SMN1; SMN2 Q16637 6/20 0.59
RAB9A P51151 5/20 0.59
LMNA P02545 2/20 0.59
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
ALDH1A1 P00352 3/20 0.52
ROCK1 Q13464 2/20 0.52
APP P05067 1/20 0.52
NPC1 O15118 4/20 0.51
TP53 P04637 2/20 0.51
ACHE P22303 1/20 0.51
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50

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
SCHEMBL4747500 0.79 MAPT (0.68) MAPTMAPK1SMN1; SMN2RAB9ALMNA
SCHEMBL4747533 0.79 MAPT (0.67) MAPTMAPK1SMN1; SMN2RAB9ALMNA
SCHEMBL4749587 0.78 MAPT (0.66) MAPTMAPK1SMN1; SMN2RAB9ALMNA
SCHEMBL4746835 0.76 MAPT (0.72) MAPTMAPK1SMN1; SMN2RAB9ALMNA
SCHEMBL4749579 0.76 MAPT (0.71) MAPTMAPK1SMN1; SMN2RAB9ALMNA
SCHEMBL14102524 0.75 MAPT (0.80) MAPTMAPK1SMN1; SMN2RAB9ALMNA
SCHEMBL4747523 0.75 MAPT (0.69) MAPTMAPK1SMN1; SMN2RAB9ALMNA
SCHEMBL4747421 0.74 SMN1; SMN2 (0.72) MAPTMAPK1SMN1; SMN2RAB9ALMNA
SCHEMBL4750028 0.74 MAPT (0.68) MAPTMAPK1SMN1; SMN2RAB9ALMNA
SCHEMBL4787127 0.73 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 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