SCHEMBL4963995

SCHEMBL4963995

Cc1c(Cl)cccc1S(=O)(=O)Nc1nc(C(C)(C)O)cs1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.59
HSD17B1 P14061 2/20 0.59
HSD17B2 P37059 2/20 0.59
KDM1A O60341 5/20 0.47
MAOA P21397 3/20 0.47
SLC40A1 Q9NP59 1/20 0.47
EDNRB P24530 2/20 0.47
EDNRA P25101 2/20 0.47
CCR4 P51679 1/20 0.45

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
SCHEMBL5911805 0.90 HSD11B1 (0.58) HSD11B1HSD17B1HSD17B2KDM1AMAOA
SCHEMBL4965845 0.90 HSD11B1 (0.61) HSD11B1HSD17B1HSD17B2KDM1AMAOA
SCHEMBL4966975 0.87 HSD11B1 (0.58) HSD11B1HSD17B1HSD17B2KDM1AMAOA
SCHEMBL3625075 0.84 HSD11B1 (0.61) HSD11B1HSD17B1HSD17B2KDM1AMAOA
SCHEMBL7090981 0.81 HSD11B1 (0.67) HSD11B1HSD17B1HSD17B2KDM1AMAOA
SCHEMBL4966355 0.81 HSD11B1 (0.70) HSD11B1HSD17B1HSD17B2KDM1AMAOA
SCHEMBL4964890 0.80 HSD11B1 (0.66) HSD11B1HSD17B1HSD17B2KDM1AMAOA
SCHEMBL4962530 0.80 HSD11B1 (0.58) HSD11B1HSD17B1HSD17B2KDM1AMAOA
SCHEMBL4963707 0.80 HSD11B1 (0.60) HSD11B1HSD17B1HSD17B2KDM1AMAOA
SCHEMBL5911779 0.80 HSD11B1 (0.72) 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 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