SCHEMBL4966769

SCHEMBL4966769

Cc1c(Cl)cccc1S(=O)(=O)Nc1nc(CC(O)Cc2c(F)cccc2F)cs1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.58
HSD17B1 P14061 2/20 0.58
HSD17B2 P37059 2/20 0.58
POLB P06746 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
CCR4 P51679 1/20 0.40
KDM1A O60341 2/20 0.39
MAOA P21397 2/20 0.39
SLC40A1 Q9NP59 1/20 0.39
EDNRB P24530 1/20 0.39
EDNRA P25101 1/20 0.39

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
SCHEMBL4966729 0.91 HSD11B1 (0.57) HSD11B1HSD17B1HSD17B2POLBKMT2A
SCHEMBL4964057 0.91 HSD11B1 (0.57) HSD11B1HSD17B1HSD17B2POLBKMT2A
SCHEMBL4964064 0.91 HSD11B1 (0.57) HSD11B1HSD17B1HSD17B2POLBKMT2A
SCHEMBL4964714 0.89 HSD11B1 (0.58) HSD11B1HSD17B1HSD17B2POLBKMT2A
SCHEMBL4966176 0.87 HSD11B1 (0.54) HSD11B1HSD17B1HSD17B2POLBKMT2A
SCHEMBL4962571 0.87 HSD11B1 (0.54) HSD11B1HSD17B1HSD17B2POLBNPC1
SCHEMBL4966187 0.87 HSD11B1 (0.60) HSD11B1HSD17B1HSD17B2POLBKMT2A
SCHEMBL4963001 0.87 HSD11B1 (0.60) HSD11B1HSD17B1HSD17B2POLBKMT2A
SCHEMBL4963008 0.87 HSD11B1 (0.60) HSD11B1HSD17B1HSD17B2POLBKMT2A
SCHEMBL4963005 0.85 HSD11B1 (0.64) HSD11B1HSD17B1HSD17B2POLBKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888544-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS Takeda San Diego, Inc. (US) 2008-02-20 EP claimed
WO-2006066109-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-06-22 WO claimed
EP-1888544-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS Takeda San Diego, Inc. (US) 2008-02-20 EP disclosed
WO-2006066109-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-06-22 WO disclosed