SCHEMBL3254706

SCHEMBL3254706

Cc1c(Cl)cccc1S(=O)(=O)Nc1ncc(CC(=O)N2CCN(C(=O)O)CC2)s1

nearest known ligand 0.86

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.86
HSD17B1 P14061 2/20 0.59
HSD17B2 P37059 2/20 0.59
EDNRB P24530 2/20 0.41
EDNRA P25101 2/20 0.41
CCR4 P51679 1/20 0.39
SLC40A1 Q9NP59 1/20 0.39
METAP1 P53582 1/20 0.39
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MAPK1 P28482 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL3250977 0.93 HSD11B1 (0.86) HSD11B1HSD17B1HSD17B2EDNRBEDNRA
SCHEMBL3255788 0.92 HSD11B1 (0.84) HSD11B1HSD17B1HSD17B2EDNRBEDNRA
SCHEMBL3255959 0.91 HSD11B1 (0.83) HSD11B1HSD17B1HSD17B2EDNRBEDNRA
SCHEMBL3253535 0.91 HSD11B1 (0.83) HSD11B1HSD17B1HSD17B2EDNRBEDNRA
SCHEMBL3256129 0.90 HSD11B1 (0.82) HSD11B1HSD17B1HSD17B2EDNRBEDNRA
SCHEMBL3254118 0.89 HSD11B1 (0.79) HSD11B1HSD17B1HSD17B2EDNRBEDNRA
SCHEMBL3255131 0.89 HSD11B1 (0.71) HSD11B1HSD17B1HSD17B2EDNRBEDNRA
SCHEMBL3255987 0.85 HSD11B1 (0.71) HSD11B1HSD17B1HSD17B2EDNRBEDNRA
SCHEMBL6625837 0.82 HSD11B1 (0.67) HSD11B1HSD17B1HSD17B2TP53
SCHEMBL3253110 0.82 HSD11B1 (0.69) HSD11B1HSD17B1HSD17B2EDNRBEDNRA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1461325-B1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2010-05-26 EP claimed
WO-2004112782-A1 NEW USE V BIOVITRUM AB (SE) 2004-12-29 WO claimed
WO-2004112782-A1 NEW USE V BIOVITRUM AB (SE) 2004-12-29 WO disclosed