SCHEMBL4963005

SCHEMBL4963005

CCCC(O)Cc1csc(NS(=O)(=O)c2cccc(Cl)c2C)n1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.64
HSD17B1 P14061 2/20 0.64
HSD17B2 P37059 2/20 0.64
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
POLB P06746 1/20 0.46
CCR4 P51679 1/20 0.41
KDM1A O60341 2/20 0.41
MAOA P21397 2/20 0.41
SLC40A1 Q9NP59 1/20 0.41
EDNRB P24530 1/20 0.41
EDNRA P25101 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL4963008 0.87 HSD11B1 (0.60) HSD11B1HSD17B1HSD17B2KMT2AMEN1
SCHEMBL4963001 0.87 HSD11B1 (0.60) HSD11B1HSD17B1HSD17B2KMT2AMEN1
SCHEMBL4966187 0.87 HSD11B1 (0.60) HSD11B1HSD17B1HSD17B2KMT2AMEN1
SCHEMBL4963158 0.86 HSD11B1 (0.63) HSD11B1HSD17B1HSD17B2KMT2AMEN1
SCHEMBL4966281 0.86 HSD11B1 (0.63) HSD11B1HSD17B1HSD17B2KMT2AMEN1
SCHEMBL4964714 0.85 HSD11B1 (0.58) HSD11B1HSD17B1HSD17B2KMT2AMEN1
SCHEMBL4966769 0.85 HSD11B1 (0.58) HSD11B1HSD17B1HSD17B2KMT2AMEN1
SCHEMBL4964536 0.85 HSD11B1 (0.68) HSD11B1HSD17B1HSD17B2KMT2AMEN1
SCHEMBL4963065 0.85 HSD11B1 (0.58) HSD11B1HSD17B1HSD17B2KMT2AMEN1
SCHEMBL4962648 0.85 HSD11B1 (0.58) 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 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