SCHEMBL4965845

SCHEMBL4965845

CCC(O)(CC)c1csc(NS(=O)(=O)c2cccc(Cl)c2C)n1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.61
HSD17B1 P14061 2/20 0.61
HSD17B2 P37059 2/20 0.61
SLC40A1 Q9NP59 1/20 0.47
KDM1A O60341 2/20 0.45
MAOA P21397 2/20 0.45
EDNRB P24530 2/20 0.45
EDNRA P25101 2/20 0.45
HTT P42858 1/20 0.43
CCR4 P51679 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL4966975 0.93 HSD11B1 (0.58) HSD11B1HSD17B1HSD17B2SLC40A1KDM1A
SCHEMBL4963934 0.90 HSD11B1 (0.49) HSD11B1HSD17B1HSD17B2SLC40A1KDM1A
SCHEMBL4963995 0.90 HSD11B1 (0.59) HSD11B1HSD17B1HSD17B2SLC40A1KDM1A
SCHEMBL5911805 0.87 HSD11B1 (0.58) HSD11B1HSD17B1HSD17B2SLC40A1KDM1A
SCHEMBL4964890 0.84 HSD11B1 (0.66) HSD11B1HSD17B1HSD17B2SLC40A1KDM1A
SCHEMBL4969440 0.82 HCRTR1 (0.47) HSD11B1HSD17B1HSD17B2KDM1AMAOA
SCHEMBL5911779 0.81 HSD11B1 (0.72) HSD11B1HSD17B1HSD17B2SLC40A1KDM1A
SCHEMBL3625075 0.81 HSD11B1 (0.61) HSD11B1HSD17B1HSD17B2SLC40A1KDM1A
SCHEMBL4966355 0.81 HSD11B1 (0.70) HSD11B1HSD17B1HSD17B2SLC40A1KDM1A
SCHEMBL4966328 0.81 CA1 (0.44) HSD11B1HSD17B1HSD17B2KDM1AMAOA

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