SCHEMBL6627313

SCHEMBL6627313

CCCc1ccc(S(=O)(=O)Nc2ncc(C(=O)C(=O)OCC)s2)cc1.Cc1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1ncc(CC(=O)N2CCCCC2)s1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.42
HPGD P15428 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 1/20 0.35
AKT1 P31749 2/20 0.35
IRS1 P35568 2/20 0.35
GAB1 Q13480 2/20 0.35
MAPT P10636 1/20 0.34
GAA P10253 2/20 0.34
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SCN3A Q9NY46 1/20 0.32
P2RY12 Q9H244 1/20 0.32

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
SCHEMBL3256154 0.83 HSD11B1 (0.55) HSD11B1HPGDALDH1A1KMT2AMEN1
SCHEMBL3248063 0.81 HPGD (0.51) HSD11B1HPGDALDH1A1KMT2AMEN1
SCHEMBL3256635 0.78 AKT1 (0.51) HPGDALDH1A1KMT2AMEN1AKT1
SCHEMBL3250317 0.76 HSD11B1 (0.66) HSD11B1HPGDALDH1A1KMT2AMEN1
SCHEMBL3254353 0.76 HSD11B1 (0.60) HSD11B1ALDH1A1KMT2AGAATSHR
SCHEMBL3255541 0.76 HSD11B1 (0.54) HSD11B1KMT2AMAPT
SCHEMBL3258736 0.75 ABCB1 (0.39) HSD11B1HPGDALDH1A1KMT2AMEN1
SCHEMBL3256147 0.74 TSHR (0.53) HSD11B1HPGDALDH1A1KMT2AAKT1
SCHEMBL3251304 0.74 HSD11B1 (0.49) HSD11B1HPGDALDH1A1KMT2AMEN1
SCHEMBL3253323 0.73 HSD11B1 (0.50) HSD11B1HPGDALDH1A1KMT2AMEN1

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-1461325-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2004-09-29 EP disclosed
WO-2003043999-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2003-05-30 WO disclosed