SCHEMBL4750842

SCHEMBL4750842

CCCN(CCC)S(=O)(=O)c1ccc(/C=C/C=C/C(=O)Nc2nc(-c3ccc(OC)cc3)cs2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTO1 P78417 1/20 0.52
LMNA P02545 4/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
PARP1 P09874 2/20 0.51
MAPK1 P28482 4/20 0.49
KDM4E B2RXH2 2/20 0.49
USP2 O75604 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
MAPT P10636 3/20 0.49
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
KCNQ1 P51787 2/20 0.46
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
ACHE P22303 1/20 0.44

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
SCHEMBL4747486 0.94 PARP1 (0.58) GSTO1LMNARAB9ASMN1; SMN2PARP1
SCHEMBL4747488 0.94 PARP1 (0.58) GSTO1LMNARAB9ASMN1; SMN2PARP1
SCHEMBL4747484 0.94 PARP1 (0.58) GSTO1LMNARAB9ASMN1; SMN2PARP1
SCHEMBL4746847 0.90 LMNA (0.49) LMNARAB9ASMN1; SMN2PARP1MAPK1
SCHEMBL4746820 0.88 L3MBTL1 (0.47) LMNARAB9APARP1MAPK1KDM4E
SCHEMBL4749915 0.85 MEN1 (0.48) LMNARAB9ASMN1; SMN2PARP1MAPK1
SCHEMBL4788679 0.83 SMN1; SMN2 (0.54) GSTO1LMNARAB9ASMN1; SMN2KDM4E
SCHEMBL4750364 0.83 LMNA (0.52) GSTO1LMNARAB9ASMN1; SMN2MAPK1
SCHEMBL4750368 0.83 LMNA (0.52) GSTO1LMNARAB9ASMN1; SMN2MAPK1
SCHEMBL4750362 0.83 LMNA (0.52) GSTO1LMNARAB9ASMN1; SMN2MAPK1

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