SCHEMBL4966166

SCHEMBL4966166

Cc1c(Cl)cccc1S(=O)(=O)Nc1nc(Cc2ccc(C#N)cc2)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
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM1A O60341 2/20 0.41
MAOA P21397 2/20 0.41
SLC40A1 Q9NP59 1/20 0.41
EDNRB P24530 2/20 0.40
EDNRA P25101 2/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
CCR4 P51679 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
SCHEMBL4963074 0.90 HSD11B1 (0.56) HSD11B1HSD17B1HSD17B2MEN1POLB
SCHEMBL4967377 0.89 HSD11B1 (0.63) HSD11B1HSD17B1HSD17B2MEN1POLB
SCHEMBL4965066 0.88 HSD11B1 (0.64) HSD11B1HSD17B1HSD17B2MEN1POLB
SCHEMBL4964609 0.87 HSD11B1 (0.61) HSD11B1HSD17B1HSD17B2MEN1POLB
SCHEMBL4967502 0.83 HSD11B1 (0.62) HSD11B1HSD17B1HSD17B2MEN1POLB
SCHEMBL4965906 0.83 HSD11B1 (0.61) HSD11B1HSD17B1HSD17B2MEN1POLB
SCHEMBL4966276 0.83 HSD11B1 (0.63) HSD11B1HSD17B1HSD17B2MEN1POLB
SCHEMBL4966321 0.82 HSD11B1 (0.58) HSD11B1HSD17B1HSD17B2MEN1POLB
SCHEMBL4963930 0.82 HSD11B1 (0.60) HSD11B1HSD17B1HSD17B2MEN1POLB
SCHEMBL4963665 0.81 HSD11B1 (0.69) HSD11B1HSD17B1HSD17B2MEN1POLB

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