SCHEMBL4967012

SCHEMBL4967012

Cc1c(Cl)cccc1S(=O)(=O)Nc1nc(CC2(O)CCOCC2)cs1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.58
HSD17B1 P14061 2/20 0.58
HSD17B2 P37059 2/20 0.58
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
EDNRB P24530 2/20 0.41
EDNRA P25101 2/20 0.41
KDM1A O60341 2/20 0.39
MAOA P21397 2/20 0.39
SLC40A1 Q9NP59 1/20 0.39
PKLR P30613 1/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL4963075 0.91 HSD11B1 (0.61) HSD11B1HSD17B1HSD17B2KMT2AMEN1
SCHEMBL4963016 0.91 HSD11B1 (0.61) HSD11B1HSD17B1HSD17B2KMT2AMEN1
SCHEMBL4965061 0.90 HSD11B1 (0.57) HSD11B1HSD17B1HSD17B2KMT2AMEN1
SCHEMBL4966355 0.83 HSD11B1 (0.70) HSD11B1HSD17B1HSD17B2KMT2AMEN1
Hydrochloric Acid SCHEMBL3621704 0.80 HSD11B1 (0.62) HSD11B1HSD17B1HSD17B2KMT2AMEN1
SCHEMBL3615493 0.80 HSD11B1 (0.82) HSD11B1HSD17B1HSD17B2KMT2AMEN1
SCHEMBL4963665 0.79 HSD11B1 (0.69) HSD11B1HSD17B1HSD17B2KMT2AMEN1
SCHEMBL5911779 0.79 HSD11B1 (0.72) HSD11B1HSD17B1HSD17B2KMT2AMEN1
SCHEMBL3612077 0.79 HSD11B1 (0.68) HSD11B1HSD17B1HSD17B2KMT2AMEN1
Hydrochloric Acid SCHEMBL3615771 0.79 HSD11B1 (0.63) HSD11B1HSD17B1HSD17B2KMT2AMEN1

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-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