SCHEMBL4749587

SCHEMBL4749587

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.66
MAPK1 P28482 3/20 0.66
RAB9A P51151 5/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
LMNA P02545 3/20 0.60
APP P05067 1/20 0.60
MEN1 O00255 7/20 0.54
KMT2A Q03164 7/20 0.54
ALDH1A1 P00352 4/20 0.54
NPC1 O15118 4/20 0.54
TP53 P04637 2/20 0.54
ACHE P22303 1/20 0.54
HDAC3 O15379 2/20 0.53
HDAC4 P56524 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC7 Q8WUI4 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC10 Q969S8 2/20 0.53
HDAC11 Q96DB2 2/20 0.53
HDAC8 Q9BY41 2/20 0.53

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
SCHEMBL4750028 0.93 MAPT (0.68) MAPTMAPK1RAB9ASMN1; SMN2LMNA
SCHEMBL14102524 0.90 MAPT (0.80) MAPTMAPK1RAB9ASMN1; SMN2LMNA
SCHEMBL4747500 0.88 MAPT (0.68) MAPTMAPK1RAB9ASMN1; SMN2LMNA
SCHEMBL4747533 0.83 MAPT (0.67) MAPTMAPK1RAB9ASMN1; SMN2LMNA
SCHEMBL4749579 0.82 MAPT (0.71) MAPTMAPK1RAB9ASMN1; SMN2LMNA
SCHEMBL4746835 0.81 MAPT (0.72) MAPTMAPK1RAB9ASMN1; SMN2LMNA
SCHEMBL4747523 0.79 MAPT (0.69) MAPTMAPK1RAB9ASMN1; SMN2LMNA
SCHEMBL29515953 0.79 MAPT (0.63) MAPTMAPK1RAB9ASMN1; SMN2LMNA
SCHEMBL14102522 0.78 MAPK1 (0.71) MAPTMAPK1RAB9ASMN1; SMN2LMNA
SCHEMBL4747504 0.78 MAPT (0.59) 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 disclosed