SCHEMBL4750028

SCHEMBL4750028

COc1ccc(-c2csc(NC(=O)CCc3ccccc3)n2)cc1.FC(F)(F)CNCC(F)(F)F

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.68
MAPK1 P28482 3/20 0.68
RAB9A P51151 5/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
LMNA P02545 3/20 0.62
APP P05067 1/20 0.62
ALDH1A1 P00352 4/20 0.58
NPC1 O15118 4/20 0.58
TP53 P04637 2/20 0.58
MEN1 O00255 7/20 0.56
KMT2A Q03164 7/20 0.56
ACHE P22303 1/20 0.55
HDAC3 O15379 2/20 0.55
HDAC4 P56524 2/20 0.55
HDAC1 Q13547 2/20 0.55
HDAC7 Q8WUI4 2/20 0.55
HDAC2 Q92769 2/20 0.55
HDAC10 Q969S8 2/20 0.55
HDAC11 Q96DB2 2/20 0.55
HDAC8 Q9BY41 2/20 0.55

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
SCHEMBL4749587 0.93 MAPT (0.66) MAPTMAPK1RAB9ASMN1; SMN2LMNA
SCHEMBL14102524 0.91 MAPT (0.80) MAPTMAPK1RAB9ASMN1; SMN2LMNA
SCHEMBL4749579 0.87 MAPT (0.71) MAPTMAPK1RAB9ASMN1; SMN2LMNA
SCHEMBL4747523 0.84 MAPT (0.69) MAPTMAPK1RAB9ASMN1; SMN2LMNA
SCHEMBL4746835 0.82 MAPT (0.72) MAPTMAPK1RAB9ASMN1; SMN2LMNA
SCHEMBL4747500 0.82 MAPT (0.68) MAPTMAPK1RAB9ASMN1; SMN2LMNA
SCHEMBL29515953 0.80 MAPT (0.63) MAPTMAPK1RAB9ASMN1; SMN2LMNA
SCHEMBL14102522 0.80 MAPK1 (0.71) MAPTMAPK1RAB9ASMN1; SMN2LMNA
SCHEMBL4747533 0.79 MAPT (0.67) MAPTMAPK1RAB9ASMN1; SMN2LMNA
SCHEMBL4750292 0.79 MAPT (0.64) MAPTMAPK1RAB9ASMN1; SMN2LMNA

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 1 patent. 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