SCHEMBL6964968

SCHEMBL6964968

COC(=O)c1cccc(CSS(=O)(=O)c2ccc(C)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.59
ACHE P22303 7/20 0.59
MAPT P10636 1/20 0.57
TCF4 P15884 1/20 0.56
CTNNB1 P35222 1/20 0.56
LOXL2 Q9Y4K0 1/20 0.52
CYP4F2 P78329 2/20 0.51
CYP4A11 Q02928 2/20 0.51
NPC1 O15118 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CA2 P00918 1/20 0.50
SLC7A5 Q01650 1/20 0.49
LMNA P02545 1/20 0.48
RECQL P46063 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP2C9 P11712 2/20 0.48

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
SCHEMBL8434487 0.79 BCHE (0.76) BCHEACHE
SCHEMBL8434517 0.79 BCHE (0.72) BCHEACHE
SCHEMBL20813012 0.78 TCF4 (0.68) MAPTTCF4CTNNB1NPC1MEN1
SCHEMBL6964974 0.78 MAPT (0.61) MAPTTCF4CTNNB1LOXL2CYP4F2
SCHEMBL25464938 0.77 LOXL2 (0.68) MAPTLOXL2CYP4F2CYP4A11NPC1
SCHEMBL25464823 0.77 LOXL2 (0.68) MAPTLOXL2CYP4F2CYP4A11NPC1
SCHEMBL30417629 0.77 LOXL2 (0.68) MAPTLOXL2CYP4F2CYP4A11NPC1
SCHEMBL25464582 0.77 LOXL2 (0.59) MAPTLOXL2CYP4F2CYP4A11NPC1
SCHEMBL25464630 0.77 LOXL2 (0.59) MAPTLOXL2CYP4F2CYP4A11NPC1
SCHEMBL8705459 0.77 LOXL2 (0.56) MAPTTCF4CTNNB1LOXL2CYP4F2

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
EP-0729465-B1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE DAVIS & CO (US) 2003-01-22 EP disclosed
US-6005103-A TREATMENT OF BACTERIAL AND VIRAL INFECTIONS AND DISEASES, INCLUDING AIDS WARNER-LAMBERT COMPANY (US) 1999-12-21 US disclosed