SCHEMBL4749949

SCHEMBL4749949

C=CCOc1ccc(C=CC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTO1 P78417 2/20 0.66
PARP1 P09874 2/20 0.61
MAPT P10636 5/20 0.57
MAPK1 P28482 4/20 0.57
SMN1; SMN2 Q16637 4/20 0.53
LMNA P02545 3/20 0.53
RAB9A P51151 3/20 0.53
KDM4E B2RXH2 2/20 0.53
PTGS2 P35354 1/20 0.53
ALDH1A1 P00352 3/20 0.53
NPC1 O15118 2/20 0.53
TP53 P04637 1/20 0.53
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
HPGD P15428 1/20 0.50
ACHE P22303 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49

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
SCHEMBL4749941 1.00 GSTO1 (0.66) GSTO1PARP1MAPTMAPK1SMN1; SMN2
SCHEMBL4749945 1.00 GSTO1 (0.66) GSTO1PARP1MAPTMAPK1SMN1; SMN2
SCHEMBL4749670 0.90 MAPT (0.58) GSTO1PARP1MAPTMAPK1SMN1; SMN2
SCHEMBL4749668 0.90 MAPT (0.58) GSTO1PARP1MAPTMAPK1SMN1; SMN2
SCHEMBL4749669 0.90 MAPT (0.58) GSTO1PARP1MAPTMAPK1SMN1; SMN2
SCHEMBL4746834 0.90 MAPT (0.67) GSTO1PARP1MAPTMAPK1SMN1; SMN2
SCHEMBL4746832 0.90 MAPT (0.67) GSTO1PARP1MAPTMAPK1SMN1; SMN2
SCHEMBL4746833 0.90 MAPT (0.67) GSTO1PARP1MAPTMAPK1SMN1; SMN2
SCHEMBL4749683 0.90 PARP1 (0.72) GSTO1PARP1MAPTMAPK1SMN1; SMN2
SCHEMBL4749691 0.90 PARP1 (0.72) GSTO1PARP1MAPTMAPK1SMN1; SMN2

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