SCHEMBL4747414

SCHEMBL4747414

CCCSc1ccc(CCC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.72
MAPK1 P28482 2/20 0.72
SMN1; SMN2 Q16637 6/20 0.69
RAB9A P51151 4/20 0.69
LMNA P02545 3/20 0.69
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
ALDH1A1 P00352 3/20 0.57
ROCK1 Q13464 1/20 0.57
APP P05067 1/20 0.57
NPC1 O15118 4/20 0.57
TP53 P04637 1/20 0.57
ACHE P22303 1/20 0.56
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 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
SCHEMBL14102524 0.84 MAPT (0.80) MAPTMAPK1SMN1; SMN2RAB9ALMNA
SCHEMBL4750282 0.82 MAPT (0.71) MAPTMAPK1SMN1; SMN2RAB9ALMNA
SCHEMBL4749547 0.81 MAPT (0.72) MAPTMAPK1SMN1; SMN2RAB9ALMNA
SCHEMBL4749663 0.81 MAPT (0.68) MAPTMAPK1SMN1; SMN2RAB9ALMNA
SCHEMBL4747368 0.80 PARP1 (0.59) MAPTMAPK1SMN1; SMN2RAB9ALMNA
SCHEMBL4747366 0.80 PARP1 (0.59) MAPTMAPK1SMN1; SMN2RAB9ALMNA
SCHEMBL4746912 0.80 MAPT (0.67) MAPTMAPK1SMN1; SMN2RAB9ALMNA
SCHEMBL4747401 0.80 MAPT (0.67) MAPTMAPK1SMN1; SMN2RAB9ALMNA
SCHEMBL4750060 0.80 SMN1; SMN2 (0.56) MAPTMAPK1SMN1; SMN2RAB9ALMNA
SCHEMBL4750055 0.80 SMN1; SMN2 (0.56) 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